Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride
TL;DR: Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride (CAS 69766-30-9) is a chemical compound with molecular formula C18H21Cl2N and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-[(E)-3-phenylprop-2-enyl]azanium chloride
Also Known As: N-(2-Chloroethyl)-N-(3-phenylallyl)benzylamine hydrochloride, BENZYLAMINE, N-(2-CHLOROETHYL)-N-(3-PHENYLALLYL)-, HYDROCHLORIDE, benzyl-(2-chloroethyl)-[(E)-3-phenylprop-2-enyl]azanium chloride, RefChem:1079506
| Molecular Formula | C18H21Cl2N |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 0.0277 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.1051 |
| Heavy Atoms | 21 |
| Complexity | 511.25623 |
Chemical Identifiers
| CAS Number | 69766-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+](CCCl)C/C=C/C2=CC=CC=C2.[Cl-] |
Product Overview
Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride (CAS 69766-30-9), with molecular formula C18H21Cl2N and molecular weight 321.11 g/mol. IUPAC: benzyl-(2-chloroethyl)-[(E)-3-phenylprop-2-enyl]azanium chloride.
Chemical Property Profile of Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride
Property Insights of Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride
The XLogP value of 0.0277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride. With a topological polar surface area (TPSA) of 4.44 Ų, Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride has 1 hydrogen bond donor(s) and 0 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-(3-phenylallyl)-, hydrochloride?
The CAS number of Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride is 69766-30-9.
What is the molecular formula of Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride?
The molecular formula of Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride is C18H21Cl2N.
What is the molecular weight of Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride?
The molecular weight of Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride is 321.11 g/mol.
Where can I buy Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride?
You can request a quote for Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, 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-(3-phenylallyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-chloroethyl)-N-(3-phenylallyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.