N-(2-Chloroethyl)dibenzylamine
TL;DR: N-(2-Chloroethyl)dibenzylamine (CAS 51-50-3) is a chemical compound with molecular formula C16H18ClN and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibenzyl-2-chloroethanamine
Also Known As: Sympatholytin, Dibenzylchlorethamine, Dibenzyl chlorethylamine, Dibenzylchlorethylamine, N-(2-Chloroethyl)dibenzylamine
| Molecular Formula | C16H18ClN |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.11276 |
| Heavy Atoms | 18 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 51-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2 |
| InChIKey | GSLWSSUWNCJILM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Chloroethyl)dibenzylamine (CAS 51-50-3), with molecular formula C16H18ClN and molecular weight 259.11 g/mol. IUPAC: N,N-dibenzyl-2-chloroethanamine.
Chemical Property Profile of N-(2-Chloroethyl)dibenzylamine
Property Insights of N-(2-Chloroethyl)dibenzylamine
The XLogP value of 3.8 indicates that N-(2-Chloroethyl)dibenzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N-(2-Chloroethyl)dibenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloroethyl)dibenzylamine has 0 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 N-(2-Chloroethyl)dibenzylamine?
The CAS number of N-(2-Chloroethyl)dibenzylamine is 51-50-3.
What is the molecular formula of N-(2-Chloroethyl)dibenzylamine?
The molecular formula of N-(2-Chloroethyl)dibenzylamine is C16H18ClN.
What is the molecular weight of N-(2-Chloroethyl)dibenzylamine?
The molecular weight of N-(2-Chloroethyl)dibenzylamine is 259.11 g/mol.
Where can I buy N-(2-Chloroethyl)dibenzylamine?
You can request a quote for N-(2-Chloroethyl)dibenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)dibenzylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)dibenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.