TL;DR: Propylamine, (N,N-bis(2-chloroethyl))-2-methyl-, hydrochloride (CAS 63905-44-2) is a chemical compound with molecular formula C8H18Cl3N and molecular weight 233.05048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-chloroethyl)-2-methylpropan-1-amine;hydrochloride
Also Known As: TL 525, Isobutylbis(2-chloroethyl)amine hydrochloride, TL 524, Isobutylbis(beta-chloroethyl)amine hydrochloride, sec-Butyl-bis(2-chloroethyl)amine hydrochloride
| Molecular Formula | C8H18Cl3N |
| Molecular Weight | 233.05048 g/mol |
| XLogP | 2.84 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 233.05048 Da |
| Heavy Atoms | 12 |
| Complexity | 80.0 |
| SMILES | CC(C)CN(CCCl)CCCl.Cl |
| InChIKey | HMNHFUHYPNQIMA-UHFFFAOYSA-N |
The XLogP value of 2.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylamine, (N,N-bis(2-chloroethyl))-2-methyl-, hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, Propylamine, (N,N-bis(2-chloroethyl))-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylamine, (N,N-bis(2-chloroethyl))-2-methyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Propylamine, (N,N-bis(2-chloroethyl))-2-methyl-, hydrochloride is 63905-44-2.
The molecular formula of Propylamine, (N,N-bis(2-chloroethyl))-2-methyl-, hydrochloride is C8H18Cl3N.
The molecular weight of Propylamine, (N,N-bis(2-chloroethyl))-2-methyl-, hydrochloride is 233.05048 g/mol.
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