Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride
TL;DR: Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride (CAS 63991-07-1) is a chemical compound with molecular formula C13H21Cl2N and molecular weight 261.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl-ethyl-[(4-ethylphenyl)methyl]azanium chloride
Also Known As: 2-Chloro-N-(p-ethylbenzyl)diethylamine hydrochloride, N-(2-Chloroethyl)-N,4-diethylbenzylamine hydrochloride, Diethylamine, 2-chloro-N-(p-ethylbenzyl)-, hydrochloride, 2-chloroethyl-ethyl-[(4-ethylphenyl)methyl]azanium chloride, BENZYLAMINE, N-(2-CHLOROETHYL)-N,p-DIETHYL-, HYDROCHLORIDE
| Molecular Formula | C13H21Cl2N |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.1051 |
| Heavy Atoms | 16 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 63991-07-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C[NH+](CC)CCCl.[Cl-] |
| InChIKey | HNTNNIBILUQYQT-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride (CAS 63991-07-1), with molecular formula C13H21Cl2N and molecular weight 261.11 g/mol. IUPAC: 2-chloroethyl-ethyl-[(4-ethylphenyl)methyl]azanium chloride.
Chemical Property Profile of Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride
Property Insights of Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride
The XLogP value of -1.1 indicates that Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, 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, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, 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, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride?
The CAS number of Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride is 63991-07-1.
What is the molecular formula of Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride?
The molecular formula of Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride is C13H21Cl2N.
What is the molecular weight of Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride?
The molecular weight of Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride is 261.11 g/mol.
Where can I buy Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride?
You can request a quote for Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.