Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride
TL;DR: Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride (CAS 66903-16-0) is a chemical compound with molecular formula C12H19Cl2N and molecular weight 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-(2-chloroethyl)-propylazanium chloride
Also Known As: N-(2-Chloroethyl)-N-propylbenzylamine hydrochloride, BENZYLAMINE, N-(2-CHLOROETHYL)-N-PROPYL-, HYDROCHLORIDE, benzyl-(2-chloroethyl)-propylazanium chloride, Benzenemethanamine, N-(2-chloroethyl)-N-propyl-, hydrochloride, RefChem:1079513
| Molecular Formula | C12H19Cl2N |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | -1.28 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.08946 |
| Heavy Atoms | 15 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 66903-16-0 |
|---|---|
| SMILES | CCC[NH+](CCCl)CC1=CC=CC=C1.[Cl-] |
| InChIKey | SYNMOXBPJINTTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride (CAS 66903-16-0), with molecular formula C12H19Cl2N and molecular weight 247.09 g/mol. IUPAC: benzyl-(2-chloroethyl)-propylazanium chloride.
Chemical Property Profile of Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride
Property Insights of Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride
The XLogP value of -1.28 indicates that Benzylamine, N-(2-chloroethyl)-N-propyl-, 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-(2-chloroethyl)-N-propyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(2-chloroethyl)-N-propyl-, 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-(2-chloroethyl)-N-propyl-, hydrochloride?
The CAS number of Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride is 66903-16-0.
What is the molecular formula of Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride?
The molecular formula of Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride is C12H19Cl2N.
What is the molecular weight of Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride?
The molecular weight of Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride is 247.09 g/mol.
Where can I buy Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride?
You can request a quote for Benzylamine, N-(2-chloroethyl)-N-propyl-, 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-propyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-chloroethyl)-N-propyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.