4-氨基苯甲腈
TL;DR: 4-氨基苯甲腈 (CAS 873-74-5) is a chemical compound with molecular formula C7H6N2 and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基苯甲腈
4-aminobenzonitrile
Also Known As: 4-Aminobenzonitrile, 4-Cyanoaniline, p-Cyanoaniline, P-AMINOBENZONITRILE, Benzonitrile, 4-amino-
| Molecular Formula | C7H6N2 |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.0531 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
| Vapor Pressure | 0.00887 [mmHg] |
Chemical Identifiers
| CAS Number | 873-74-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N |
| InChIKey | YBAZINRZQSAIAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基苯甲腈 (CAS 873-74-5), with molecular formula C7H6N2 and molecular weight 118.05 g/mol. IUPAC: 4-aminobenzonitrile.
Chemical Property Profile of 4-氨基苯甲腈
Property Insights of 4-氨基苯甲腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基苯甲腈. With a topological polar surface area (TPSA) of 49.8 Ų, 4-氨基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氨基苯甲腈 has 1 hydrogen bond donor(s) and 2 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-氨基苯甲腈?
The CAS number of 4-氨基苯甲腈 is 873-74-5.
What is the molecular formula of 4-氨基苯甲腈?
The molecular formula of 4-氨基苯甲腈 is C7H6N2.
What is the molecular weight of 4-氨基苯甲腈?
The molecular weight of 4-氨基苯甲腈 is 118.05 g/mol.
Where can I buy 4-氨基苯甲腈?
You can request a quote for 4-氨基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.