4-Chloro-beta-methylbenzeneethanamine
TL;DR: 4-Chloro-beta-methylbenzeneethanamine (CAS 4806-79-5) 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.
2-(4-chlorophenyl)propan-1-amine
Also Known As: 2-(4-chlorophenyl)propan-1-amine, 4-Chloro-beta-methylphenethylamine, 4-chloro-, A-methylphenethylamine, 2-(4-chloro-phenyl)-propylamine
| Molecular Formula | C9H12ClN |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.06583 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 4806-79-5 |
|---|---|
| SMILES | CC(CN)C1=CC=C(C=C1)Cl |
| InChIKey | FLACJAGRDZAFJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-beta-methylbenzeneethanamine (CAS 4806-79-5), with molecular formula C9H12ClN and molecular weight 169.07 g/mol. IUPAC: 2-(4-chlorophenyl)propan-1-amine.
Chemical Property Profile of 4-Chloro-beta-methylbenzeneethanamine
Property Insights of 4-Chloro-beta-methylbenzeneethanamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-beta-methylbenzeneethanamine. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Chloro-beta-methylbenzeneethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-beta-methylbenzeneethanamine 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 4-Chloro-beta-methylbenzeneethanamine?
The CAS number of 4-Chloro-beta-methylbenzeneethanamine is 4806-79-5.
What is the molecular formula of 4-Chloro-beta-methylbenzeneethanamine?
The molecular formula of 4-Chloro-beta-methylbenzeneethanamine is C9H12ClN.
What is the molecular weight of 4-Chloro-beta-methylbenzeneethanamine?
The molecular weight of 4-Chloro-beta-methylbenzeneethanamine is 169.07 g/mol.
Where can I buy 4-Chloro-beta-methylbenzeneethanamine?
You can request a quote for 4-Chloro-beta-methylbenzeneethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-beta-methylbenzeneethanamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-beta-methylbenzeneethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.