3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-butenyl)-

Base Information

• Chemical Name: 3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-butenyl)-
• CAS No.: 72928-22-4
• Molecular Formula: C13H19 N
• Molecular Weight: 189.29666
• European Community (EC) Number: 277-055-4
• DSSTox Substance ID: DTXSID40888309
• Nikkaji Number: J296.394I
• Mol file: 72928-22-4.mol

Synonyms:72928-22-4;3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-butenyl)-;3-Methyl-2-(3-methyl-2-butenyl)-3-cyclohexene-1-carbonitrile;3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-buten-1-yl)-;EINECS 277-055-4;DTXSID40888309

Chemical Property of 3-Cyclohexene-1-carbonitrile, 3-methyl-2-(3-methyl-2-butenyl)-

Chemical Property:

• Vapor Pressure: 0.00168mmHg at 25°C
• Boiling Point: 293.8°C at 760 mmHg
• Flash Point: 107.6°C
• PSA: 23.79000
• Density: 0.91g/cm³
• LogP: 3.69468
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1CC=C(C)C)C#N

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