Cas no 135540-95-3 (Bicyclo[2.2.1]heptane, 2,5-bis(isocyanatomethyl)-)

Bicyclo[2.2.1]heptane, 2,5-bis(isocyanatomethyl)- structure
135540-95-3 structure
Product Name:Bicyclo[2.2.1]heptane, 2,5-bis(isocyanatomethyl)-
CAS No:135540-95-3
MF:C11H14N2O2
MW:206.241062641144
CID:1243844
PubChem ID:11701254
Update Time:2025-04-20

Bicyclo[2.2.1]heptane, 2,5-bis(isocyanatomethyl)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptane, 2,5-bis(isocyanatomethyl)-
    • 2,5-Bis-isocyanatomethylbicyclo[2.2.1]heptan
    • SCHEMBL95678
    • DTXSID901335728
    • EC 411-280-2
    • 2,5-Bis-isocyanatomethyl-bicyclo(2.2.1)heptane
    • 135540-95-3
    • LEAAXJONQWQISB-UHFFFAOYSA-N
    • NS00005715
    • 2,5-bis(isocyanatomethyl)bicyclo[2.2.1]heptane
    • Inchi: 1S/C11H14N2O2/c14-6-12-4-10-2-8-1-9(10)3-11(8)5-13-7-15/h8-11H,1-5H2
    • InChI Key: LEAAXJONQWQISB-UHFFFAOYSA-N
    • SMILES: O=C=NCC1CC2CC1CC2CN=C=O

Computed Properties

  • Exact Mass: 206.105527694g/mol
  • 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: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 58.9?2
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