Cas no 135540-96-4 (Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)-)

Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)- structure
135540-96-4 structure
Product Name:Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)-
CAS No:135540-96-4
MF:C11H14N2O2
MW:206.241062641144
CID:1238533
PubChem ID:11206532
Update Time:2025-04-20

Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptane, 2,6-bis(isocyanatomethyl)-
    • 3,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane
    • DTXSID70458716
    • FOLVZNOYNJFEBK-UHFFFAOYSA-N
    • SCHEMBL97821
    • 135540-96-4
    • Inchi: 1S/C11H14N2O2/c14-6-12-4-9-1-8-2-10(5-13-7-15)11(9)3-8/h8-11H,1-5H2
    • InChI Key: FOLVZNOYNJFEBK-UHFFFAOYSA-N
    • SMILES: O=C=NCC1CC2CC(CN=C=O)C1C2

Computed Properties

  • Exact Mass: 206.10562
  • Monoisotopic Mass: 206.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 300
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 58.9?2

Experimental Properties

  • PSA: 58.86
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