1-Cyclododecene-1-carbonitrile

Base Information

• Chemical Name: 1-Cyclododecene-1-carbonitrile
• CAS No.: 831-92-5
• Molecular Formula: C₁₃H₂₁N
• Molecular Weight: 191.316
• DSSTox Substance ID: DTXSID101305614
• Nikkaji Number: J1.495.451A,J127.413I

Synonyms:1-Cyclododecene-1-carbonitrile;cyclododecenenitrile;DTXSID101305614;AKOS024321910;831-92-5

Chemical Property of 1-Cyclododecene-1-carbonitrile

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CCCCCC(=CCCCC1)C#N
• Isomeric SMILES: C1CCCCC/C(=C\CCCC1)/C#N

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