Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride
TL;DR: Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride (CAS 40616-85-1) is a chemical compound with molecular formula C14H22BrCl2N and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl-tert-butyl-(3-chloropropyl)azanium chloride
Also Known As: BENZYLAMINE, o-BROMO-N-tert-BUTYL-N-(3-CHLOROPROPYL)-, HYDROCHLORIDE, o-Bromo-N-tert-butyl-N-(3-chloropropyl)benzylamine hydrochloride, (2-bromophenyl)methyl-tert-butyl-(3-chloropropyl)azanium chloride, RefChem:1079531
| Molecular Formula | C14H22BrCl2N |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 0.27 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.03128 |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 40616-85-1 |
|---|---|
| SMILES | CC(C)(C)[NH+](CCCCl)CC1=CC=CC=C1Br.[Cl-] |
| InChIKey | ZRBLBXNMXXYROQ-UHFFFAOYSA-N |
Product Overview
Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride (CAS 40616-85-1), with molecular formula C14H22BrCl2N and molecular weight 353.03 g/mol. IUPAC: (2-bromophenyl)methyl-tert-butyl-(3-chloropropyl)azanium chloride.
Chemical Property Profile of Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride
Property Insights of Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride
The XLogP value of 0.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride. With a topological polar surface area (TPSA) of 4.4 Ų, Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, o-bromo-N-tert-butyl-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-tert-butyl-N-(3-chloropropyl)-, hydrochloride?
The CAS number of Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride is 40616-85-1.
What is the molecular formula of Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride?
The molecular formula of Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride is C14H22BrCl2N.
What is the molecular weight of Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride?
The molecular weight of Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride is 353.03 g/mol.
Where can I buy Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride?
You can request a quote for Benzylamine, o-bromo-N-tert-butyl-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-tert-butyl-N-(3-chloropropyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.