Cas no 103434-09-9 (Bicyclo[2.2.1]heptane-1-carbonitrile)

Bicyclo[2.2.1]heptane-1-carbonitrile structure
103434-09-9 structure
Product Name:Bicyclo[2.2.1]heptane-1-carbonitrile
CAS No:103434-09-9
MF:C8H11N
MW:121.179641962051
CID:230246
PubChem ID:145393
Update Time:2025-04-19

Bicyclo[2.2.1]heptane-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptane-1-carbonitrile
    • 1-Norbornylisocyanide
    • 1-isocyanobicyclo[2.2.1]heptane
    • 103434-09-9
    • DTXSID50908406
    • Inchi: 1S/C8H11N/c1-9-8-4-2-7(6-8)3-5-8/h7H,2-6H2
    • InChI Key: ZGHGUYUIGKWVIH-UHFFFAOYSA-N
    • SMILES: [N+](#[C-])C12CCC(CC1)C2

Computed Properties

  • Exact Mass: 121.08923
  • Monoisotopic Mass: 121.089149
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 4.4
  • XLogP3: 1.4

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 4.36
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