Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride
TL;DR: Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride (CAS 66903-08-0) 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.
benzyl-butyl-(2-chloroethyl)azanium chloride
Also Known As: N-Butyl-N-(2-chloroethyl)benzylamine hydrochloride, BENZYLAMINE, N-BUTYL-N-(2-CHLOROETHYL)-, HYDROCHLORIDE, benzyl-butyl-(2-chloroethyl)azanium chloride, Benzenemethanamine, N-butyl-N-(2-chloroethyl)-, hydrochloride, RefChem:1079522
| Molecular Formula | C13H21Cl2N |
|---|---|
| Molecular Weight | 261.11 g/mol |
| LogP | -0.89 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.1051 |
| Heavy Atoms | 16 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 66903-08-0 |
|---|---|
| SMILES | CCCC[NH+](CCCl)CC1=CC=CC=C1.[Cl-] |
| InChIKey | KOVRGMHDBWJQTD-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride (CAS 66903-08-0), with molecular formula C13H21Cl2N and molecular weight 261.11 g/mol. IUPAC: benzyl-butyl-(2-chloroethyl)azanium chloride.
Chemical Property Profile of Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride
Property Insights of Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride
The XLogP value of -0.89 indicates that Benzylamine, N-butyl-N-(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, N-butyl-N-(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-butyl-N-(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, N-butyl-N-(2-chloroethyl)-, hydrochloride?
The CAS number of Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride is 66903-08-0.
What is the molecular formula of Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride?
The molecular formula of Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride is C13H21Cl2N.
What is the molecular weight of Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride?
The molecular weight of Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride is 261.11 g/mol.
Where can I buy Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride?
You can request a quote for Benzylamine, N-butyl-N-(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, N-butyl-N-(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-butyl-N-(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.