Eshaghi Gorji, Zahra’s team published research in Chemical Engineering Research and Design in 2022 | CAS: 534-03-2

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Computed Properties of C3H9NO2

In 2022,Eshaghi Gorji, Zahra; Ebrahimpoor Gorji, Ali; Riahi, Siavash published an article in Chemical Engineering Research and Design. The title of the article was 《A structure-property model for the prediction of pKa values of different amines in the CO2 capture process of concern to the prediction of thermodynamic properties》.Computed Properties of C3H9NO2 The author mentioned the following in the article:

In this study, Quant. Structure-Property Relationship (QSPR) method has been applied on a dataset including the pKa values of 21 different structures (20 amines and ammonia) at four temperatures in the post-combustion-capture process using QSARINS. QSPR models have been accomplished in two situations, called fixed and unfixed temperatures In the fixed temperatures, four predictive models with one descriptor have been sep. developed at each temperature Besides, thermodn. properties have been calculated by the van′t Hoff equation using predicted pKa values. In the unfixed temperatures, two general models were developed which take into account the effects of mol. structure and temperature, simultaneously. The predicted pKa values and calculated Gibbs free energy have a good consistency with related values in the literature. The reliability of each developed model has been examined using external assessments. The values of some statistical parameters such as R2 = 0.89 and AARD% = 2.68 verify the prediction capability of models. In the experimental materials used by the author, we found 2-Aminopropane-1,3-diol(cas: 534-03-2Computed Properties of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Computed Properties of C3H9NO2

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