2-[4-(Butan-2-yl)phenyl]propanenitrile

Base Information

• Chemical Name: 2-[4-(Butan-2-yl)phenyl]propanenitrile
• CAS No.: 99148-34-2
• Molecular Formula: C13H17N
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00912851
• Mol file: 99148-34-2.mol

Synonyms:2-(4'-isobutylphenyl)propionitrile;Ibu-CN

Chemical Property of 2-[4-(Butan-2-yl)phenyl]propanenitrile

Chemical Property:

• Vapor Pressure: 0.00323mmHg at 25°C
• Boiling Point: 283.1°C at 760 mmHg
• Flash Point: 125.4°C
• Density: 0.938g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1=CC=C(C=C1)C(C)C#N