TL;DR: 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride (CAS 13782-63-3) is a chemical compound with molecular formula C10H26Cl2N2O5 and molecular weight 324.1219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2-(hydroxymethyl)propane-1,3-diol;dihydrochloride
Also Known As: 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride, 2-((2-(Bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-1,3-propanediol dihydrochloride, 2-({2-[Bis(2-hydroxyethyl)amino]ethyl}amino)-2-(hydroxymethyl)propane-1,3-diol--hydrogen chloride (1/2), 2-[2-[bis(2-hydroxyethyl)amino]ethylamino]-2-(hydroxymethyl)propane-1,3-diol dihydrochloride
| Molecular Formula | C10H26Cl2N2O5 |
| Molecular Weight | 324.1219 g/mol |
| XLogP | -2.5781 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 324.1219 Da |
| Heavy Atoms | 19 |
| Complexity | 164.0 |
| SMILES | C(CN(CCO)CCO)NC(CO)(CO)CO.Cl.Cl |
| InChIKey | JTHHYTRCFDZOKZ-UHFFFAOYSA-N |
The XLogP value of -2.5781 indicates that 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride has 8 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride is 13782-63-3.
The molecular formula of 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride is C10H26Cl2N2O5.
The molecular weight of 1,3-Propanediol, 2-((2-(bis(2-hydroxyethyl)amino)ethyl)amino)-2-(hydroxymethyl)-, dihydrochloride is 324.1219 g/mol.
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