3-氯苯乙胺
TL;DR: 3-氯苯乙胺 (CAS 13078-79-0) is a chemical compound with molecular formula C8H10ClN and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯苯乙胺
2-(3-chlorophenyl)ethanamine
Also Known As: 2-(3-Chlorophenyl)ethylamine, 2-(3-Chlorophenyl)ethanamine, 3-Chlorophenethylamine, 2-(3-chlorophenyl)ethan-1-amine, 2-(3-Chloro-phenyl)-ethylamine
| Molecular Formula | C8H10ClN |
|---|---|
| Molecular Weight | 155.05 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 | 155.05017 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 13078-79-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CCN |
| InChIKey | NRHVNPYOTNGECT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯苯乙胺 (CAS 13078-79-0), with molecular formula C8H10ClN and molecular weight 155.05 g/mol. IUPAC: 2-(3-chlorophenyl)ethanamine.
Chemical Property Profile of 3-氯苯乙胺
Property Insights of 3-氯苯乙胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯苯乙胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3-氯苯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯苯乙胺 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 3-氯苯乙胺?
The CAS number of 3-氯苯乙胺 is 13078-79-0.
What is the molecular formula of 3-氯苯乙胺?
The molecular formula of 3-氯苯乙胺 is C8H10ClN.
What is the molecular weight of 3-氯苯乙胺?
The molecular weight of 3-氯苯乙胺 is 155.05 g/mol.
Where can I buy 3-氯苯乙胺?
You can request a quote for 3-氯苯乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯苯乙胺?
Yes, KEHONG BIO provides custom synthesis services for 3-氯苯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.