TL;DR: N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1) (CAS 63915-57-1) is a chemical compound with molecular formula C4H9Cl3N2O and molecular weight 205.97804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-chloroethyl)-nitrosoazanium chloride
Also Known As: Bis-(beta-chloroethyl)-nitrosoamine hydrochloride, bis(2-chloroethyl)-nitrosoazanium chloride, DIETHYLAMINE, 2,2'-DICHLORO-N-NITROSO-, HYDROCHLORIDE, N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1), Ethanamine, 2-chloro-N-(2-chloroethyl)-N-nitroso-, monohydrochloride
| Molecular Formula | C4H9Cl3N2O |
| Molecular Weight | 205.97804 g/mol |
| XLogP | -2.97 |
| Topological Polar Surface Area (TPSA) | 33.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.97804 Da |
| Heavy Atoms | 10 |
| Complexity | 75.0 |
| SMILES | C(CCl)[NH+](CCCl)N=O.[Cl-] |
| InChIKey | JYGGUQJLGVANOB-UHFFFAOYSA-N |
The XLogP value of -2.97 indicates that N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.9 Ų, N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1) has 1 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 N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1) is 63915-57-1.
The molecular formula of N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1) is C4H9Cl3N2O.
The molecular weight of N,N-Bis(2-chloroethyl)nitrous amide--hydrogen chloride (1/1) is 205.97804 g/mol.
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