N-(3-Chlorobenzyl)ethanamine
TL;DR: N-(3-Chlorobenzyl)ethanamine (CAS 90389-47-2) is a chemical compound with molecular formula C9H12ClN and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]ethanamine
Also Known As: N-(3-Chlorobenzyl)ethanamine, propynyllithium, Benzylamine der, N-[(3-chlorophenyl)methyl]ethanamine, N-Ethyl-M-chlorobenzylamine
| Molecular Formula | C9H12ClN |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.06583 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 90389-47-2 |
|---|---|
| SMILES | CCNCC1=CC(=CC=C1)Cl |
| InChIKey | KHDVRWXQCOMYKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-Chlorobenzyl)ethanamine (CAS 90389-47-2), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]ethanamine.
Chemical Property Profile of N-(3-Chlorobenzyl)ethanamine
Property Insights of N-(3-Chlorobenzyl)ethanamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chlorobenzyl)ethanamine. With a topological polar surface area (TPSA) of 12.0 Ų, N-(3-Chlorobenzyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chlorobenzyl)ethanamine 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 N-(3-Chlorobenzyl)ethanamine?
The CAS number of N-(3-Chlorobenzyl)ethanamine is 90389-47-2.
What is the molecular formula of N-(3-Chlorobenzyl)ethanamine?
The molecular formula of N-(3-Chlorobenzyl)ethanamine is C9H12ClN.
What is the molecular weight of N-(3-Chlorobenzyl)ethanamine?
The molecular weight of N-(3-Chlorobenzyl)ethanamine is 169.07 g/mol.
Where can I buy N-(3-Chlorobenzyl)ethanamine?
You can request a quote for N-(3-Chlorobenzyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorobenzyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorobenzyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.