Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride
TL;DR: Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride (CAS 3597-20-4) is a chemical compound with molecular formula C11H15Cl4N and molecular weight 301.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[(4-chlorophenyl)methyl]azanium chloride
Also Known As: 2-chloro-N-(4-chlorobenzyl)-N-(2-chloroethyl)-1-ethanaminium chloride, Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride, p-Chloro-di-(2-chloroethyl)-benzylamine hydrochloride, N,N-Bis(2-chloroethyl)-p-chlorobenzylamine hydrochloride, 6X-0968
| Molecular Formula | C11H15Cl4N |
|---|---|
| Molecular Weight | 301.00 g/mol |
| LogP | -0.79 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.99292 |
| Heavy Atoms | 16 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 3597-20-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C[NH+](CCCl)CCCl)Cl.[Cl-] |
| InChIKey | WNXAIFKNBKOPMV-UHFFFAOYSA-N |
Product Overview
Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride (CAS 3597-20-4), with molecular formula C11H15Cl4N and molecular weight 301.00 g/mol. IUPAC: bis(2-chloroethyl)-[(4-chlorophenyl)methyl]azanium chloride.
Chemical Property Profile of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride
Property Insights of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride
The XLogP value of -0.79 indicates that Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride?
The CAS number of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride is 3597-20-4.
What is the molecular formula of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular formula of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride is C11H15Cl4N.
What is the molecular weight of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular weight of Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride is 301.00 g/mol.
Where can I buy Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride?
You can request a quote for Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, p-chloro-N,N-bis(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.