Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride
TL;DR: Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride (CAS 40616-79-3) is a chemical compound with molecular formula C12H18BrCl2N and molecular weight 325.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-(3-chloropropyl)-ethylazanium chloride
Also Known As: o-Bromo-N-(3-chloropropyl)-N-ethylbenzylamine hydrochloride, BENZYLAMINE, o-BROMO-N-(3-CHLOROPROPYL)-N-ETHYL-, HYDROCHLORIDE, (2-bromophenyl)methyl-(3-chloropropyl)-ethylazanium chloride, RefChem:1079527
| Molecular Formula | C12H18BrCl2N |
|---|---|
| Molecular Weight | 325.00 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.99997 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 40616-79-3 |
|---|---|
| SMILES | CC[NH+](CCCCl)CC1=CC=CC=C1Br.[Cl-] |
| InChIKey | DZPAFEJTGRASEC-UHFFFAOYSA-N |
Product Overview
Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride (CAS 40616-79-3), with molecular formula C12H18BrCl2N and molecular weight 325.00 g/mol. IUPAC: (2-bromophenyl)methyl-(3-chloropropyl)-ethylazanium chloride.
Chemical Property Profile of Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride
Property Insights of Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride
The XLogP value of -0.51 indicates that Benzylamine, o-bromo-N-(3-chloropropyl)-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, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, o-bromo-N-(3-chloropropyl)-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, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride?
The CAS number of Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride is 40616-79-3.
What is the molecular formula of Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride?
The molecular formula of Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride is C12H18BrCl2N.
What is the molecular weight of Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride?
The molecular weight of Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride is 325.00 g/mol.
Where can I buy Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride?
You can request a quote for Benzylamine, o-bromo-N-(3-chloropropyl)-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, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, o-bromo-N-(3-chloropropyl)-N-ethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.