TL;DR: 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine (CAS 105693-10-5) is a chemical compound with molecular formula C8H18Cl2NO2P and molecular weight 261.04523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine
Also Known As: propyl n,n-bis(2-chloroethyl)-p-methylphosphonamidate, 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine
| Molecular Formula | C8H18Cl2NO2P |
| Molecular Weight | 261.04523 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 261.04523 Da |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
| SMILES | CCCOP(=O)(C)N(CCCl)CCCl |
| InChIKey | ABQUZFDHFHVPQV-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine. With a topological polar surface area (TPSA) of 29.5 Ų, 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine is 105693-10-5.
The molecular formula of 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine is C8H18Cl2NO2P.
The molecular weight of 2-chloro-N-(2-chloroethyl)-N-[methyl(propoxy)phosphoryl]ethanamine is 261.04523 g/mol.
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