3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile
TL;DR: 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile (CAS 67884-65-5) is a chemical compound with molecular formula C11H6N4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyanoanilino)methylidene]propanedinitrile
Also Known As: 3-((2,2-DICYANOVINYL)AMINO)BENZENECARBONITRILE, 2-{[(3-cyanophenyl)amino]methylidene}propanedinitrile, 2-[(3-cyanoanilino)methylidene]propanedinitrile, 2-[(3-cyanoanilino)methylene]propanedinitrile, 2-[[(3-cyanophenyl)amino]methylidene]propanedinitrile
| Molecular Formula | C11H6N4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.90124 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.05925 |
| Heavy Atoms | 15 |
| Complexity | 492.61505 |
Chemical Identifiers
| CAS Number | 67884-65-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC=C(C#N)C#N)C#N |
Product Overview
3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile (CAS 67884-65-5), with molecular formula C11H6N4 and molecular weight 194.06 g/mol. IUPAC: 2-[(3-cyanoanilino)methylidene]propanedinitrile.
Chemical Property Profile of 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile
Property Insights of 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile
The XLogP value of 1.90124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile. Following Lipinski's Rule of Five, 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile has 1 hydrogen bond donor(s) and 4 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-((2,2-Dicyanovinyl)amino)benzenecarbonitrile?
The CAS number of 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile is 67884-65-5.
What is the molecular formula of 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile?
The molecular formula of 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile is C11H6N4.
What is the molecular weight of 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile?
The molecular weight of 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile is 194.06 g/mol.
Where can I buy 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile?
You can request a quote for 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,2-Dicyanovinyl)amino)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.