p-Tricyanovinyl-N,N-dimethylaniline
TL;DR: p-Tricyanovinyl-N,N-dimethylaniline (CAS 67491-89-8) is a chemical compound with molecular formula C13H10N4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dimethylamino)phenyl]ethene-1,1,2-tricarbonitrile
Also Known As: p-Tricyanovinyl-N,N-dimethylaniline, p-tricyanovinyldimethylaniline, 2-[4-(dimethylamino)phenyl]ethene-1,1,2-tricarbonitrile, BAS 00281276, Ethenetricarbonitrile, [4-(dimethylamino)phenyl]-
| Molecular Formula | C13H10N4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09055 |
| Heavy Atoms | 17 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 67491-89-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C(C#N)C#N)C#N |
| InChIKey | KPVQHJLNKIZNIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tricyanovinyl-N,N-dimethylaniline (CAS 67491-89-8), with molecular formula C13H10N4 and molecular weight 222.09 g/mol. IUPAC: 2-[4-(dimethylamino)phenyl]ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of p-Tricyanovinyl-N,N-dimethylaniline
Property Insights of p-Tricyanovinyl-N,N-dimethylaniline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tricyanovinyl-N,N-dimethylaniline. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Tricyanovinyl-N,N-dimethylaniline. Following Lipinski's Rule of Five, p-Tricyanovinyl-N,N-dimethylaniline has 0 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 p-Tricyanovinyl-N,N-dimethylaniline?
The CAS number of p-Tricyanovinyl-N,N-dimethylaniline is 67491-89-8.
What is the molecular formula of p-Tricyanovinyl-N,N-dimethylaniline?
The molecular formula of p-Tricyanovinyl-N,N-dimethylaniline is C13H10N4.
What is the molecular weight of p-Tricyanovinyl-N,N-dimethylaniline?
The molecular weight of p-Tricyanovinyl-N,N-dimethylaniline is 222.09 g/mol.
Where can I buy p-Tricyanovinyl-N,N-dimethylaniline?
You can request a quote for p-Tricyanovinyl-N,N-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tricyanovinyl-N,N-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for p-Tricyanovinyl-N,N-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.