2-(Phenylamino)benzonitrile
TL;DR: 2-(Phenylamino)benzonitrile (CAS 20938-62-9) is a chemical compound with molecular formula C13H10N2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilinobenzonitrile
Also Known As: 2-(phenylamino)benzonitrile, 2-anilinobenzonitrile, Anilin-Benzonitril, 2-phenylaminobenzonitrile, Benzonitrile, 2-(phenylamino)-
| Molecular Formula | C13H10N2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0844 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 20938-62-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2C#N |
| InChIKey | CQPPEKZIPAHVKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylamino)benzonitrile (CAS 20938-62-9), with molecular formula C13H10N2 and molecular weight 194.08 g/mol. IUPAC: 2-anilinobenzonitrile.
Chemical Property Profile of 2-(Phenylamino)benzonitrile
Property Insights of 2-(Phenylamino)benzonitrile
The XLogP value of 3.7 indicates that 2-(Phenylamino)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 2-(Phenylamino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylamino)benzonitrile 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-(Phenylamino)benzonitrile?
The CAS number of 2-(Phenylamino)benzonitrile is 20938-62-9.
What is the molecular formula of 2-(Phenylamino)benzonitrile?
The molecular formula of 2-(Phenylamino)benzonitrile is C13H10N2.
What is the molecular weight of 2-(Phenylamino)benzonitrile?
The molecular weight of 2-(Phenylamino)benzonitrile is 194.08 g/mol.
Where can I buy 2-(Phenylamino)benzonitrile?
You can request a quote for 2-(Phenylamino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylamino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylamino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.