3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile

Base Information

• Chemical Name: 3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile
• CAS No.: 68084-04-8
• Molecular Formula: C13H19N
• Molecular Weight: 189.2967
• European Community (EC) Number: 268-417-2
• DSSTox Substance ID: DTXSID50867463
• Nikkaji Number: J289.024K
• Mol file: 68084-04-8.mol

Synonyms:68084-04-8;3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile;EINECS 268-417-2;3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile;3-Cyclohexene-1-carbonitrile, 3-(4-methyl-3-pentenyl)-;3-Cyclohexene-1-carbonitrile, 3-(4-methyl-3-penten-1-yl)-;3-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carbonitrile;3-(4'-Methyl-3'-pentenyl)-3-cyclohexene-1-carbonitrile;SCHEMBL3506657;DTXSID50867463

Chemical Property of 3-(4-Methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile

Chemical Property:

• Vapor Pressure: 0.00104mmHg at 25°C
• Boiling Point: 301.7°Cat760mmHg
• Flash Point: 111°C
• PSA: 23.79000
• Density: 0.92g/cm³
• LogP: 3.98288
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 189.151749610
• Heavy Atom Count: 14
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC1=CCCC(C1)C#N)C

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