2-氨基苯甲腈
TL;DR: 2-氨基苯甲腈 (CAS 1885-29-6) 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.
2-氨基苯甲腈
2-aminobenzonitrile
Also Known As: 2-Aminobenzonitrile, Anthranilonitrile, 2-Cyanoaniline, o-Aminobenzonitrile, Benzonitrile, 2-amino-
| Molecular Formula | C7H6N2 |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 1.4 |
| 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 | 133.0 |
Chemical Identifiers
| CAS Number | 1885-29-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N |
| InChIKey | HLCPWBZNUKCSBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基苯甲腈 (CAS 1885-29-6), with molecular formula C7H6N2 and molecular weight 118.05 g/mol. IUPAC: 2-aminobenzonitrile.
Chemical Property Profile of 2-氨基苯甲腈
Property Insights of 2-氨基苯甲腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基苯甲腈. With a topological polar surface area (TPSA) of 49.8 Ų, 2-氨基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-氨基苯甲腈?
The CAS number of 2-氨基苯甲腈 is 1885-29-6.
What is the molecular formula of 2-氨基苯甲腈?
The molecular formula of 2-氨基苯甲腈 is C7H6N2.
What is the molecular weight of 2-氨基苯甲腈?
The molecular weight of 2-氨基苯甲腈 is 118.05 g/mol.
Where can I buy 2-氨基苯甲腈?
You can request a quote for 2-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 2-氨基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.