Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)
TL;DR: Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) (CAS 40616-76-0) 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-(2-chloropropyl)-ethylazanium chloride
Also Known As: o-Bromo-N-(2-chloropropyl)-N-ethylbenzylamine hydrochloride, BENZYLAMINE, o-BROMO-N-(2-CHLOROPROPYL)-N-ETHYL-, HYDROCHLORIDE, (2-bromophenyl)methyl-(2-chloropropyl)-ethylazanium chloride, Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1), RefChem:1078492
| 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 | 5 |
| Exact Mass | 324.99997 |
| Heavy Atoms | 16 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 40616-76-0 |
|---|---|
| SMILES | CC[NH+](CC1=CC=CC=C1Br)CC(C)Cl.[Cl-] |
| InChIKey | DOUJBWOPOMMXNF-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) (CAS 40616-76-0), with molecular formula C12H18BrCl2N and molecular weight 325.00 g/mol. IUPAC: (2-bromophenyl)methyl-(2-chloropropyl)-ethylazanium chloride.
Chemical Property Profile of Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)
Property Insights of Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)
The XLogP value of -0.51 indicates that Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) 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, Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) 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 Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)?
The CAS number of Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) is 40616-76-0.
What is the molecular formula of Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)?
The molecular formula of Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) is C12H18BrCl2N.
What is the molecular weight of Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)?
The molecular weight of Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) is 325.00 g/mol.
Where can I buy Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)?
You can request a quote for Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 2-bromo-N-(2-chloropropyl)-N-ethyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.