Category: 156-87-6

The author of 《Metabolomics as read-across tool: An example with 3-aminopropanol and 2-aminoethanol》 were Sperber, S.; Wahl, M.; Berger, F.; Kamp, H.; Lemke, O.; Starck, V.; Walk, T.; Spitzer, M.; Van Ravenzwaay, B.. And the article was published in Regulatory Toxicology and Pharmacology in 2019. Synthetic Route of C3H9NO The author mentioned the following in the article:

Read-across and grouping is one of the most commonly used alternative approaches for data gap filling in registrations submitted under the REACH Regulation as defined by the European Chems. Agency (ECHA) in their Read-Across Assessment Framework (RAAF, 2017). At the same time, the application of read-across is rejected by ECHA frequently due to various reasons. As a major reason hereof, applicants fail to reduce the level of remaining uncertainty intrinsical to every read-across approach compared to testing a substance exptl. Recently, the use of metabolomics to support read-across cases with biol. information has been reported in a case study with phenoxy herbicides (Ravenzwaay et al., 2016). In the present case-study a weight-of-evidence read-across approach from 2-aminoethanol (MEA = source) to 3-aminopropanol (3AP = target) with metabolomics as supporting evidence reducing the remaining uncertainties is reported. We demonstrate the high structural similarity of the two analogous substances based on the available data and we report how metabolome data add confidence concerning mechanistic similarity in this read-across approach. Finally, the herein described read-across case supported by metabolomics is used to cover the data gaps in repeated dose and reproductive toxicity endpoint of 3AP via weight of evidence for the REACH-registration. In the experiment, the researchers used 3-Aminopropan-1-ol(cas: 156-87-6Synthetic Route of C3H9NO)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Synthetic Route of C3H9NO

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Gilbreth, Edward; Spann, Shawn; Lavrich, Richard J. published an article in 2022. The article was titled 《Conformational flexibility and hydrogen bonding in 5-aminopentanol》, and you may find the article in Journal of Molecular Spectroscopy.COA of Formula: C3H9NO The information in the text is summarized as follows:

Rotational spectra of two conformers of 5-aminopentanol have been recorded using a Fourier-transform microwave spectrometer. For conformer C-1, eighty-two hyperfine components from the twenty-four a-, b-, and c-type transitions measured were fit to the quadrupole coupling constants, χaa = -2.954(2) MHz, χbb = 2.386(3) MHz. For conformer C-2, the fit of the seventy-six hyperfine components from the twenty-four a- and b-type transitions measured yielded χaa = -3.636(1) MHz and χbb = 2.087(2) MHz. Rotational and centrifugal distortion constants determined from fits of the resulting unsplit line centers to the Watson A-reduction Hamiltonian are A = 3322.169(1) MHz, B = 1958.7382(9) MHz, C = 1402.5957(8) MHz, ΔJ = 0.60(2) kHz, ΔJK = -0.21(8) kHz, ΔK = 0.99(3) kHz, δJ = 0.203(7) kHz, and δK = 1.1(1) kHz for conformer C-1 and A = 3249.2215(6) MHz, B = 2027.9327(3) MHz, C = 1432.5846(3) MHz, ΔJ = 0.545(6) kHz, ΔJK = 0.25(2) kHz, ΔK = 0.39(5) kHz, δJ = 0.18(4) kHz, and δK = 0.96(3) kHz for conformer C-2. The two exptl. conformations are consistent with the two lowest energy ab initio MP2/6-311++G(d,p) structures. Both conformations of 5-aminopentanol are stabilized by an intramol. hydrogen bond from the alc. proton to amino nitrogen. The flexibility introduced by the five carbons in the alkyl group separating the amino and alc. functional groups resulted in the first appearance of multiple low energy conformers being detected relative to the four, three, and two carbons in 4-aminobutanol, 3-aminopropanol, and 2-aminoethanol resp. in which only one exptl. conformation was observed In addition to this study using 3-Aminopropan-1-ol, there are many other studies that have used 3-Aminopropan-1-ol(cas: 156-87-6COA of Formula: C3H9NO) was used in this study.

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Reaction with nitrous acid (HNO2), which functions as an acylating agent that is a source of the nitrosyl group (―NO), converts aliphatic primary amines to nitrogen and mixtures of alkenes and alcohols corresponding to the alkyl group in a complex process. This reaction has been used for analytical determination of primary amino groups in a procedure known as the Van Slyke method.COA of Formula: C3H9NO

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In 2019,European Journal of Medicinal Chemistry included an article by Dei, Silvia; Braconi, Laura; Trezza, Alfonso; Menicatti, Marta; Contino, Marialessandra; Coronnello, Marcella; Chiaramonte, Niccolo; Manetti, Dina; Perrone, Maria Grazia; Romanelli, Maria Novella; Udomtanakunchai, Chatchanok; Colabufo, Nicola Antonio; Bartolucci, Gianluca; Spiga, Ottavia; Salerno, Milena; Teodori, Elisabetta. Reference of 3-Aminopropan-1-ol. The article was titled 《Modulation of the spacer in N,N-bis(alkanol)amine aryl ester heterodimers led to the discovery of a series of highly potent P-glycoprotein-based multidrug resistance (MDR) modulators》. The information in the text is summarized as follows:

In this study, a new series of N,N-bis(alkanol)amine aryl ester heterodimers was synthesized and studied. The new compounds were designed based on the structures of our previous arylamine ester derivatives endowed with high P-gp-dependent multidrug resistance reversing activity on a multidrug-resistant leukemia cell line. All new compounds were active in the pirarubicin uptake assay on the doxorubicin-resistant erythroleukemia K562 cells (K562/DOX). Compounds bearing a linker made up of 10 methylenes showed unprecedented high reversal activities regardless of the combination of aromatic moieties. Docking results obtained by an in silico study supported the data obtained by the biol. tests and a study devoted to establish the chem. stability in phosphate buffer solution (PBS) and human plasma showed that only a few compounds exhibited a significant degradation in the human plasma matrix. Ten selected non-hydrolysable derivatives were able to inhibit the P-gp-mediated rhodamine-123 efflux on K562/DOX cells, and the evaluation of their apparent permeability and ATP consumption on other cell lines suggested that the compounds can behave as unambiguous or not transported substrates. The activity of these the compounds on the transport proteins breast cancer resistance protein (BCRP) and multidrug resistance associated protein 1 (MRP1) was also analyzed. All tested derivatives displayed a moderate potency on the BCRP overexpressing cells; while only four mols. showed to be effective on MRP1 overexpressing cells, highlighting a clear structural requirement for selectivity. In conclusion, we have identified a new very powerful series of compounds which represent interesting leads for the development of new potent and efficacious P-gp-dependent MDR modulators. The results came from multiple reactions, including the reaction of 3-Aminopropan-1-ol(cas: 156-87-6Reference of 3-Aminopropan-1-ol)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Reference of 3-Aminopropan-1-ol

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In 2019,Journal of Physical Chemistry A included an article by Batista, Patrick R.; Karas, Lucas J.; Viesser, Renan V.; de Oliveira, Cynthia C.; Goncalves, Marcos B.; Tormena, Claudio F.; Rittner, Roberto; Ducati, Lucas C.; de Oliveira, Paulo R.. Recommanded Product: 3-Aminopropan-1-ol. The article was titled 《Dealing with Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches》. The information in the text is summarized as follows:

This study expands the knowledge on the conformational preference of 1,3-amino alcs. in the gas phase and in solution By employing Fourier transform IR spectroscopy, NMR spectroscopy, d. functional theory (DFT) calculations, quantum theory of atoms in mols. (QTAIM), natural bond orbital (NBO) anal., and mol. dynamics (MD), the compounds 3-aminopropan-1-ol (1), 3-methylaminopropan-1-ol (2), and 3-dimethylaminopropan-1-ol (3) are evaluated. The results show that the most stable conformation of each compound in the gas phase and in nonpolar solvents exhibited an O-H···N intramol. hydrogen bond (IHB). Based on the exptl. and theor. OH-stretching frequencies, the IHB becomes stronger from 1 to 3. In addition, from the exptl. NMR J-couplings, the IHB conformers are predominant in nonbasic solvents, representing 70-80% of the conformational equilibrium, while in basic solvents, such conformers only represent 10%. DFT calculations and QTAIM anal. in the gas phase support the occurrence of IHBs in these compounds The MD simulation indicates that the non-hydrogen-bonded conformers are the lowest energy conformations in the solution because of mol. interactions with the solvent, while they are absent in the implicit solvation model based on d. NBO anal. suggests that Me groups attached on the nitrogen atom affect the charge transfer energy involved in the IHB. This effect occurs mostly because of a decrease in the s-character of the LPN orbital along with weakening of the charge transfer from LPN to σ*OH, which is caused by an increase in the C-C-N bond angle. The experimental part of the paper was very detailed, including the reaction process of 3-Aminopropan-1-ol(cas: 156-87-6Recommanded Product: 3-Aminopropan-1-ol)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Recommanded Product: 3-Aminopropan-1-ol

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《Intramolecular hydrogen bond stabilized conformation of 3-aminopropanol》 was published in Journal of Molecular Spectroscopy in 2020. These research results belong to Khalil, Andrew S.; Lavrich, Richard J.. HPLC of Formula: 156-87-6 The article mentions the following:

Rotational spectra of the most abundant, three 13C, and the 15N isotopologues of 3-aminopropanol have been recorded in natural abundance using a Fourier-transform microwave spectrometer. For the most abundant isotopologue, 54 hyperfine components from the thirteen a- and b-type transitions measured were fit to the quadupole coupling constants, χaa = -2.551(1) MHz, χbb = 1.248(1) MHz. Rotational and centrifugal distortion constants determined from fits of the resulting unsplit line centers to the Watson A-reduction Hamiltonian are A = 7405.303(1) MHz, B = 3868.1925(5) MHz, C = 2829.2615(7) MHz, ΔJ = 1.90(3) kHz, ΔJK = -0.5(3) kHz, ΔK = 2.7(3) kHz, δJ = 0.5(4) kHz, and dK = 4.0(4) kHz. Five to six transitions were measured for each of the 13C and 15N isotopologues and rotational constants were determined by fixing the distortion constants to the values found for the normal isotope. The five sets of moments of inertia were used to determine the 3-aminopropanol substitution structure as well to perform a least-squares fit. The heavy atom coordinates determined from these two methods are in good agreement. The newly measured moments of inertia of the heavy atoms has allowed for a refinement of the structure determined by an earlier microwave study. In addition to this study using 3-Aminopropan-1-ol, there are many other studies that have used 3-Aminopropan-1-ol(cas: 156-87-6HPLC of Formula: 156-87-6) was used in this study.

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.HPLC of Formula: 156-87-6

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Name: 3-Aminopropan-1-olIn 2019 ,《New Insights and Assessment of Primary Alkanolamine/Sulfolane Biphasic Solutions for Post-combustion CO2 Capture: Absorption, Desorption, Phase Separation, and Technological Process》 appeared in Industrial & Engineering Chemistry Research. The author of the article were Liu, Sen; Ling, Hao; Lv, Juan; Gao, Hongxia; Na, Yanqing; Liang, Zhiwu. The article conveys some information:

Surprisingly, sulfolane was determined to be a universal phase splitting solvent in a serial aqueous primary alkanolamine solution for CO2 removal, where carbamate and hydrophilic amine reaction product can be the key factor to trigger CO2 phase change; the phase change can also significantly affect CO2 absorption performance. To comprehensively understand the phase change effect on absorption, stripping, and phase separation performance of primary alkanolamine solution for CO2 capture, a monoethanolamine/sulfolane-based solution was chosen as typical biphasic system. Exptl. results showed phase change can dramatically decrease absorption rate and lead to less CO2 capacity in an absorption process. The MEA-enriched separated solution can substantially decrease energy consumption for CO2 stripping, but exorbitant MEA concentration can significantly reduce CO2 removal efficiency in a quasi absorption/desorption cycle. The MEA/sulfolane emulsion solution phase separation rate can be improved by increasing temperature; fortunately, increasing temperature had a smaller effect on the miscible solubility of MEA and sulfolane in the two separated phases. Considering the absorption rate, energy consumption, and phase separation rate, a new technol. process was proposed for CO2 capture using a primary alkanolamine/sulfolane-based solution to achieve relatively high CO2 removal efficiency and conserve energy. The experimental process involved the reaction of 3-Aminopropan-1-ol(cas: 156-87-6Name: 3-Aminopropan-1-ol)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Milder oxidation, using reagents such as NaOCl, can remove four hydrogen atoms from primary amines of the type RCH2NH2 to form nitriles (R―C≡N), and oxidation with reagents such as MnO2 can remove two hydrogen atoms from secondary amines (R2CH―NHR′) to form imines (R2C=NR′). Tertiary amines can be oxidized to enamines (R2C=CHNR2) by a variety of reagents.Name: 3-Aminopropan-1-ol

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Osawa, Shigehito; Kitanishi, Kenichi; Kiuchi, Maho; Shimonaka, Motoyuki; Otsuka, Hidenori published their research in Macromolecular Rapid Communications in 2021. The article was titled 《Accelerated Redox Reaction of Hydrogen Peroxide by Employing Locally Concentrated State of Copper Catalysts on Polymer Chain》.Name: 3-Aminopropan-1-ol The article contains the following contents:

Copper complexes act as catalysts for redox reactions to generate reactive oxygen species that destroy biomols. and, therefore, are utilized to design drugs including antitumor and antibacterial medicines. Especially, catalytic reaction for hydrogen peroxide decomposition is important because it includes the process for generating highly toxic hydroxyl radical, i.e., Fenton-like reaction. Considering that multicoppers/hydrogen peroxide species are the important intermediates for the redox reaction, herein a polymer having copper complexes in the side chains is designed to facilitate the formation of the intermediates by building locally concentrated state of the copper complexes. The polymer increases their catalytic activities for hydrogen peroxide decomposition and promotes reactive oxygen species′ generation, eventually leading to higher antibacterial activity. This reveals the virtue of building a locally concentrated state of catalysts on polymers toward drug design with low amounts of transition metals. In the experiment, the researchers used many compounds, for example, 3-Aminopropan-1-ol(cas: 156-87-6Name: 3-Aminopropan-1-ol)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Name: 3-Aminopropan-1-ol

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Dou, Haozhen; Xu, Mi; Wang, Baoyu; Zhang, Zhen; Luo, Dan; Shi, Benbing; Wen, Guobin; Mousavi, Mahboubeh; Yu, Aiping; Bai, Zhengyu; Jiang, Zhongyi; Chen, Zhongwei published their research in Angewandte Chemie, International Edition in 2021. The article was titled 《Analogous Mixed Matrix Membranes with Self-Assembled Interface Pathways》.Product Details of 156-87-6 The article contains the following contents:

The implementation of mixed matrix membranes (MMMs) for sub-angstrom scale gas separations remains a grand challenge. Herein, a series of analogous mixed matrix membrane (AMMMs) were constructed via mol.-level hybridization by utilizing a reactive ionic liquid (RIL) as the continuous phase and graphene quantum dots (GQD) as nanofiller for sub-angstrom scale ethylene/ethane (0.416 nm/0.443 nm) separation With a small number of GQDs (3.5 wt%) embedded in GQD/RIL AMMMs, ethylene permeability soared by 3.1-fold, and ethylene/ethane selectivity simultaneously boosted by nearly 60% and reached up to 99.5, which outperformed most previously reported state-of-the-art membranes. Importantly, the interfacial pathway structure was visualized and their self-assembly mechanism was revealed, where the non-covalent interactions between RIL and GQDs induced the local arrangement of IL chains to self-assemble into plenty of compact and superfast interfacial pathways, contributing to the combination of superhigh permeability and selectivity. In the experimental materials used by the author, we found 3-Aminopropan-1-ol(cas: 156-87-6Product Details of 156-87-6)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Product Details of 156-87-6

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The author of 《Functionalized Anion-Exchange Membranes Facilitate Electrodialysis of Citrate and Phosphate from Model Dairy Wastewater》 were Paltrinieri, Laura; Huerta, Elisa; Puts, Theo; van Baak, Willem; Verver, Albert B.; Sudhoelter, Ernst J. R.; de Smet, Louis C. P. M.. And the article was published in Environmental Science & Technology in 2019. Safety of 3-Aminopropan-1-ol The author mentioned the following in the article:

Here, the preparation of a new, functional anion-exchange membrane (AEM), containing guanidinium groups as the anion-exchanging sites (Gu-100), is described as well as the membrane characterization by XPS, water uptake, permselectivities, and elec. resistances. The functional membrane was also used in pH-dependent electrodialysis experiments using model dairy wastewater streams. The properties of the new membrane are compared to those of a com. available anion-exchange membrane bearing conventional quaternary ammonium groups (Gu-0). Guanidinium was chosen for its specific binding properties toward oxyanions: e.g., phosphate. This functional moiety was covalently coupled to an acrylate monomer via a facile two-step synthesis to yield bulk-modified membranes upon polymerization Significant differences were observed in the electrodialysis experiments for Gu-0 and Gu-100 at pH 7, showing an enhanced phosphate and citrate transport for Gu-100 in comparison to Gu-0. At pH 10 the difference is much more pronounced: for Gu-0 membranes almost no phosphate and citrate transport could be detected, while the Gu-100 membranes transported both ions significantly. We conclude that having guanidinium groups as anion-exchange sites improves the selectivity of AEMs. As the presented monomer synthesis strategy is modular, we consider the implementation of functional groups into a polymer-based membrane via the synthesis of tailor-made monomers as an important step toward selective ion transport, which is relevant for various fields, including water treatment processes and fuel cells.3-Aminopropan-1-ol(cas: 156-87-6Safety of 3-Aminopropan-1-ol) was used in this study.

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Safety of 3-Aminopropan-1-ol

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Related Products of 156-87-6In 2021 ,《Reactive extraction for the recovery of primary amines from aqueous streams》 appeared in Separation and Purification Technology. The author of the article were Doeker, Moritz; Huettche, Vincent; Jupke, Andreas. The article conveys some information:

Biotechnol. transformations promise to be an ecol. and economically efficient alternative for the production of amines and amino alcs. Limitations in the use of these transformations often arise from inhibitory effects due to amine toxicity or from unfavorable reaction equilibrium One solution to overcome these limitations is the continuous recovery of the amine from the biotechnol. reaction media via a suitable in situ product removal strategy such as liquid-liquid reactive extraction In this study, we investigate liquid-liquid reactive extraction for the recovery of 3-methylbutylamine, 1-phenylethylamine and 3-amino-1-propanol from aqueous streams, using a mixture of oleic acid and 1-octanol. For all investigated amines, high extraction yields of up to 99% and back extraction yields of over 90% of the extracted amine were observed Relevant parameters such as chem. structure of the amine, the aqueous pH and the oleic acid concentration were identified. Furthermore, a mass action law was used to derive individual extraction constants for each amine allowing a math. description of the extraction behavior. This math. description provides a tool for the design of a tailor made reactive extraction system for the efficient recovery of amines while respecting given biotechnol. pH requirements. The experimental process involved the reaction of 3-Aminopropan-1-ol(cas: 156-87-6Related Products of 156-87-6)

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Related Products of 156-87-6

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