4-氯苄胺
TL;DR: 4-氯苄胺 (CAS 104-86-9) is a chemical compound with molecular formula C7H8ClN and molecular weight 141.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苄胺
(4-chlorophenyl)methanamine
Also Known As: 4-Chlorobenzylamine, (4-Chlorophenyl)methanamine, p-Chlorobenzylamine, 4-Chloro-benzylamine, Benzenemethanamine, 4-chloro-
| Molecular Formula | C7H8ClN |
|---|---|
| Molecular Weight | 141.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.03453 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 104-86-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CN)Cl |
| InChIKey | YMVFJGSXZNNUDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苄胺 (CAS 104-86-9), with molecular formula C7H8ClN and molecular weight 141.03 g/mol. IUPAC: (4-chlorophenyl)methanamine.
Chemical Property Profile of 4-氯苄胺
Property Insights of 4-氯苄胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苄胺. With a topological polar surface area (TPSA) of 26.0 Ų, 4-氯苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苄胺 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 4-氯苄胺?
The CAS number of 4-氯苄胺 is 104-86-9.
What is the molecular formula of 4-氯苄胺?
The molecular formula of 4-氯苄胺 is C7H8ClN.
What is the molecular weight of 4-氯苄胺?
The molecular weight of 4-氯苄胺 is 141.03 g/mol.
Where can I buy 4-氯苄胺?
You can request a quote for 4-氯苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苄胺?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.