Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
TL;DR: Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride (CAS 63991-04-8) is a chemical compound with molecular formula C11H16Cl3N and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl-[(3-chlorophenyl)methyl]-ethylazanium chloride
Also Known As: BENZYLAMINE, m-CHLORO-N-(2-CHLOROETHYL)-N-ETHYL-, HYDROCHLORIDE, Diethylamine, 2-chloro-N-(m-chlorobenzyl)-, hydrochloride, 2-chloroethyl-[(3-chlorophenyl)methyl]-ethylazanium;chloride, 3-Chloro-N-(2-chloroethyl)-N-ethylbenzylamine hydrochloride, m-Chloro-N-(2-chloroethyl)-N-ethylbenzylamine hydrochloride
| Molecular Formula | C11H16Cl3N |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | -1.01 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.03482 |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 63991-04-8 |
|---|---|
| SMILES | CC[NH+](CCCl)CC1=CC(=CC=C1)Cl.[Cl-] |
| InChIKey | FHBBSBIIFABZMX-UHFFFAOYSA-N |
Product Overview
Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride (CAS 63991-04-8), with molecular formula C11H16Cl3N and molecular weight 267.03 g/mol. IUPAC: 2-chloroethyl-[(3-chlorophenyl)methyl]-ethylazanium chloride.
Chemical Property Profile of Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
Property Insights of Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride
The XLogP value of -1.01 indicates that Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, 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, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, 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, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride?
The CAS number of Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride is 63991-04-8.
What is the molecular formula of Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride?
The molecular formula of Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride is C11H16Cl3N.
What is the molecular weight of Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride?
The molecular weight of Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride is 267.03 g/mol.
Where can I buy Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride?
You can request a quote for Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, m-chloro-N-(2-chloroethyl)-N-ethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.