2,12-Tridecadienenitrile

Base Information

• Chemical Name: 2,12-Tridecadienenitrile
• CAS No.: 124071-40-5
• Molecular Formula: C13H21 N
• Molecular Weight: 191.31
• European Community (EC) Number: 422-190-8,685-637-8
• DSSTox Substance ID: DTXSID801341479
• Nikkaji Number: J1.565.156C
• Mol file: 124071-40-5.mol

Synonyms:2,12-Tridecadienenitrile;134849-13-1;(2E)-trideca-2,12-dienenitrile;SCHEMBL1608250;DTXSID801341479;124071-40-5

Chemical Property of 2,12-Tridecadienenitrile

Chemical Property:

• PSA: 23.79000
• LogP: 4.37298
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

Useful:

• Canonical SMILES: C=CCCCCCCCCC=CC#N
• Isomeric SMILES: C=CCCCCCCCC/C=C/C#N