Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride
TL;DR: Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride (CAS 63991-06-0) is a chemical compound with molecular formula C21H29Cl2NO and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride
Also Known As: SKF 1001-A, 2-Isopropylphenoxyisopropylbenzyl-beta-chloroethylamine hydrochloride, BENZYLAMINE, N-(2-CHLOROETHYL)-N-(o-CUMENYLOXYISOPROPYL)-, HYDROCHLORIDE, 2-Chloroethyl-(phenylmethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride, benzyl-(2-chloroethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride
| Molecular Formula | C21H29Cl2NO |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 0.91 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 381.16263 |
| Heavy Atoms | 25 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 63991-06-0 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OCC(C)[NH+](CCCl)CC2=CC=CC=C2.[Cl-] |
| InChIKey | IWGXWWNPWMLNMY-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride (CAS 63991-06-0), with molecular formula C21H29Cl2NO and molecular weight 381.16 g/mol. IUPAC: benzyl-(2-chloroethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride.
Chemical Property Profile of Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride
Property Insights of Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride
The XLogP value of 0.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride. With a topological polar surface area (TPSA) of 13.7 Ų, Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride has 1 hydrogen bond donor(s) and 2 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-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride?
The CAS number of Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride is 63991-06-0.
What is the molecular formula of Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride?
The molecular formula of Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride is C21H29Cl2NO.
What is the molecular weight of Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride?
The molecular weight of Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride is 381.16 g/mol.
Where can I buy Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride?
You can request a quote for Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, 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-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.