N-(2,2-Dicyanovinyl)-acetanilide
TL;DR: N-(2,2-Dicyanovinyl)-acetanilide (CAS 115096-72-5) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,2-dicyanoethenyl)-N-phenylacetamide
Also Known As: N-(2,2-DICYANOVINYL)-ACETANILIDE, N-(2,2-Dicyanovinyl)-N-phenylacetamide, N-(2,2-dicyanoethenyl)-N-phenylacetamide, 653-051-1
Technical Specifications
| Molecular Formula | C12H9N3O |
| Molecular Weight | 211.07455 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.07455 Da |
| Heavy Atoms | 16 |
| Complexity | 369.0 |
| SMILES | CC(=O)N(C=C(C#N)C#N)C1=CC=CC=C1 |
| InChIKey | APMGGBGNOOXDMX-UHFFFAOYSA-N |
Chemical Property Profile of N-(2,2-Dicyanovinyl)-acetanilide
Property Insights of N-(2,2-Dicyanovinyl)-acetanilide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-Dicyanovinyl)-acetanilide. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-Dicyanovinyl)-acetanilide. Following Lipinski's Rule of Five, N-(2,2-Dicyanovinyl)-acetanilide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2,2-Dicyanovinyl)-acetanilide?
The CAS number of N-(2,2-Dicyanovinyl)-acetanilide is 115096-72-5.
What is the molecular formula of N-(2,2-Dicyanovinyl)-acetanilide?
The molecular formula of N-(2,2-Dicyanovinyl)-acetanilide is C12H9N3O.
What is the molecular weight of N-(2,2-Dicyanovinyl)-acetanilide?
The molecular weight of N-(2,2-Dicyanovinyl)-acetanilide is 211.07455 g/mol.
Where can I buy N-(2,2-Dicyanovinyl)-acetanilide?
You can request a quote for N-(2,2-Dicyanovinyl)-acetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,2-Dicyanovinyl)-acetanilide?
Yes, CoreyChem provides custom synthesis services for N-(2,2-Dicyanovinyl)-acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.