4-(2,2,3-Trimethyl-3-cyclopentenyl)-3-butenenitrile

Base Information

• Chemical Name: 4-(2,2,3-Trimethyl-3-cyclopentenyl)-3-butenenitrile
• CAS No.: 71042-96-1
• Molecular Formula: C12H17N
• Molecular Weight: 175.2701
• Nikkaji Number: J446.664K
• Mol file: 71042-96-1.mol

Synonyms:4-(2,2,3-Trimethyl-3-cyclopentenyl)-3-butenenitrile;71042-96-1;3-Butenenitrile, 4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-;4-(2,2,3-Trimethyl-3-cyclopenten-1-yl)-3-butenenitrile

Chemical Property of 4-(2,2,3-Trimethyl-3-cyclopentenyl)-3-butenenitrile

Chemical Property:

• Vapor Pressure: 0.00712mmHg at 25°C
• Boiling Point: 269.8°Cat760mmHg
• Flash Point: 122.5°C
• PSA: 23.79000
• Density: 0.951g/cm³
• LogP: 3.44868
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 286

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(C1(C)C)C=CCC#N
• Isomeric SMILES: CC1=CCC(C1(C)C)/C=C/CC#N