N-(2-(4,4-Dicyano-1,3-butadienyl)-5-methylphenyl)benzamide

Base Information

• Chemical Name: N-(2-(4,4-Dicyano-1,3-butadienyl)-5-methylphenyl)benzamide
• CAS No.: 100243-29-6
• Molecular Formula: C20H15 N3 O
• Molecular Weight: 313.35
• NSC Number: 160235
• Mol file: 100243-29-6.mol

Synonyms:N-(2-(4,4-Dicyano-1,3-butadienyl)-5-methylphenyl)benzamide;100243-29-6;2-Benzamido-4-methylcinnamylidenemalononitrile;N-[2-[(1Z)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide;BENZAMIDE, N-(2-(4,4-DICYANO-1,3-BUTADIENYL)-5-METHYLPHENYL)-;N-[2-(4,4-Dicyano-1,3-butadienyl)-5-methylphenyl]benzamide;NSC160235;NSC-160235;LS-26382

Chemical Property of N-(2-(4,4-Dicyano-1,3-butadienyl)-5-methylphenyl)benzamide

Chemical Property:

• Vapor Pressure: 1.42E-08mmHg at 25°C
• Boiling Point: 458°C at 760 mmHg
• Flash Point: 230.8°C
• PSA: 76.68000
• Density: 1.227g/cm³
• LogP: 4.30706
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 313.121512110
• Heavy Atom Count: 24
• Complexity: 577

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C=CC=C(C#N)C#N)NC(=O)C2=CC=CC=C2
• Isomeric SMILES: CC1=CC(=C(C=C1)/C=C\C=C(C#N)C#N)NC(=O)C2=CC=CC=C2