4-Methyl-6-phenylhex-3-enenitrile

Base Information

• Chemical Name: 4-Methyl-6-phenylhex-3-enenitrile
• CAS No.: 68555-29-3
• Molecular Formula: C13H15N
• Molecular Weight: 185.2649
• European Community (EC) Number: 271-420-1
• UNII: PK6QB6CKK2
• DSSTox Substance ID: DTXSID3071648
• Nikkaji Number: J309.186D
• Wikidata: Q76386456
• Mol file: 68555-29-3.mol

Synonyms:4-Methyl-6-phenylhex-3-enenitrile;68555-29-3;3-Hexenenitrile, 4-methyl-6-phenyl-;EINECS 271-420-1;4-Methyl-6-phenyl-3-hexenenitrile;5-Phenyl-3-methylpent-2-enecarbonitrile;PK6QB6CKK2;SCHEMBL4870956;DTXSID3071648;(3E)-4-Methyl-6-phenyl-3-hexenenitrile;3-Hexenenitrile, 4-methyl-6-phenyl-, (3E)-

Chemical Property of 4-Methyl-6-phenylhex-3-enenitrile

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Boiling Point: 328.9°Cat760mmHg
• Flash Point: 164.1°C
• Density: 0.966g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 185.120449483
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC#N)CCC1=CC=CC=C1
• Isomeric SMILES: C/C(=C\CC#N)/CCC1=CC=CC=C1