3-Amino-4-(phenylamino)benzonitrile
TL;DR: 3-Amino-4-(phenylamino)benzonitrile (CAS 68765-52-6) is a chemical compound with molecular formula C13H11N3 and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-anilinobenzonitrile
Also Known As: 3-Amino-4-(phenylamino)benzonitrile, 3-amino-4-anilinobenzonitrile, 3-amino-4-anilino-benzonitrile, Benzonitrile, 3-amino-4-(phenylamino)-, 3-amino-4-(phenylamino)benzenecarbonitrile
| Molecular Formula | C13H11N3 |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 2.88408 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.09529 |
| Heavy Atoms | 16 |
| Complexity | 526.61914 |
Chemical Identifiers
| CAS Number | 68765-52-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)C#N)N |
Product Overview
3-Amino-4-(phenylamino)benzonitrile (CAS 68765-52-6), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 3-amino-4-anilinobenzonitrile.
Chemical Property Profile of 3-Amino-4-(phenylamino)benzonitrile
Property Insights of 3-Amino-4-(phenylamino)benzonitrile
The XLogP value of 2.88408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-(phenylamino)benzonitrile. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-(phenylamino)benzonitrile. Following Lipinski's Rule of Five, 3-Amino-4-(phenylamino)benzonitrile has 2 hydrogen bond donor(s) and 3 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-Amino-4-(phenylamino)benzonitrile?
The CAS number of 3-Amino-4-(phenylamino)benzonitrile is 68765-52-6.
What is the molecular formula of 3-Amino-4-(phenylamino)benzonitrile?
The molecular formula of 3-Amino-4-(phenylamino)benzonitrile is C13H11N3.
What is the molecular weight of 3-Amino-4-(phenylamino)benzonitrile?
The molecular weight of 3-Amino-4-(phenylamino)benzonitrile is 209.10 g/mol.
Where can I buy 3-Amino-4-(phenylamino)benzonitrile?
You can request a quote for 3-Amino-4-(phenylamino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-(phenylamino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-(phenylamino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.