7-Isopropyl-5-methylbicyclo[2.2.2]octane-2-carbonitrile

Base Information

• Chemical Name: 7-Isopropyl-5-methylbicyclo[2.2.2]octane-2-carbonitrile
• CAS No.: 84963-32-6
• Molecular Formula: C13H21 N
• Molecular Weight: 191.31254
• European Community (EC) Number: 284-834-2
• DSSTox Substance ID: DTXSID001005283
• Nikkaji Number: J309.557F
• Mol file: 84963-32-6.mol

Synonyms:84963-32-6;EINECS 284-834-2;7-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCTANE-2-CARBONITRILE;7-Isopropyl-5-methylbicyclo(2.2.2)octane-2-carbonitrile;Bicyclo[2.2.2]octane-2-carbonitrile,5-methyl-7-(1-methylethyl)-;DTXSID001005283;5-Methyl-7-(propan-2-yl)bicyclo[2.2.2]octane-2-carbonitrile

Chemical Property of 7-Isopropyl-5-methylbicyclo[2.2.2]octane-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.00234mmHg at 25°C
• Boiling Point: 288.4°C at 760 mmHg
• Flash Point: 118.7°C
• PSA: 23.79000
• Density: 0.94g/cm³
• LogP: 3.46438
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C(CC1CC2C(C)C)C#N