Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride
TL;DR: Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride (CAS 40616-77-1) is a chemical compound with molecular formula C10H14BrCl2N and molecular weight 296.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-(3-chloropropyl)azanium chloride
Also Known As: o-Bromo-N-(3-chloropropyl)benzylamine hydrochloride, BENZYLAMINE, o-BROMO-N-(3-CHLOROPROPYL)-, HYDROCHLORIDE, (2-bromophenyl)methyl-(3-chloropropyl)azanium chloride, RefChem:328827
| Molecular Formula | C10H14BrCl2N |
|---|---|
| Molecular Weight | 296.97 g/mol |
| LogP | -0.85 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.96866 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 40616-77-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C[NH2+]CCCCl)Br.[Cl-] |
| InChIKey | QHASOVARFVXGAL-UHFFFAOYSA-N |
Product Overview
Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride (CAS 40616-77-1), with molecular formula C10H14BrCl2N and molecular weight 296.97 g/mol. IUPAC: (2-bromophenyl)methyl-(3-chloropropyl)azanium chloride.
Chemical Property Profile of Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride
Property Insights of Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride
The XLogP value of -0.85 indicates that Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.6 Ų, Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, o-bromo-N-(3-chloropropyl)-, 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)-, hydrochloride?
The CAS number of Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride is 40616-77-1.
What is the molecular formula of Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride?
The molecular formula of Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride is C10H14BrCl2N.
What is the molecular weight of Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride?
The molecular weight of Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride is 296.97 g/mol.
Where can I buy Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride?
You can request a quote for Benzylamine, o-bromo-N-(3-chloropropyl)-, 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)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.