Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride
TL;DR: Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride (CAS 66903-04-6) is a chemical compound with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-prop-2-enylazanium chloride
Also Known As: N-Allyl-N-(2-chloroethyl)benzylamine hydrochloride, BENZYLAMINE, N-ALLYL-N-(2-CHLOROETHYL)-, HYDROCHLORIDE, benzyl-(2-chloroethyl)-prop-2-enylazanium chloride, Benzenemethanamine, N-(2-chloroethyl)-N-2-propenyl-, hydrochloride, RefChem:1079520
| Molecular Formula | C12H17Cl2N |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.0738 |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 66903-04-6 |
|---|---|
| SMILES | C=CC[NH+](CCCl)CC1=CC=CC=C1.[Cl-] |
| InChIKey | DNAYAAMJPOMZQB-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride (CAS 66903-04-6), with molecular formula C12H17Cl2N and molecular weight 245.07 g/mol. IUPAC: benzyl-(2-chloroethyl)-prop-2-enylazanium chloride.
Chemical Property Profile of Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride
Property Insights of Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride
The XLogP value of -1.5 indicates that Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride 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, Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-allyl-N-(2-chloroethyl)-, 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, N-allyl-N-(2-chloroethyl)-, hydrochloride?
The CAS number of Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride is 66903-04-6.
What is the molecular formula of Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride?
The molecular formula of Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride is C12H17Cl2N.
What is the molecular weight of Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride?
The molecular weight of Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride is 245.07 g/mol.
Where can I buy Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride?
You can request a quote for Benzylamine, N-allyl-N-(2-chloroethyl)-, 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-allyl-N-(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.