Cas no 56249-25-3 (8-Azatetracyclo[4.3.0.03,9.04,7]nonane(9CI))

8-Azatetracyclo[4.3.0.03,9.04,7]nonane(9CI) structure
56249-25-3 structure
Product Name:8-Azatetracyclo[4.3.0.03,9.04,7]nonane(9CI)
CAS No:56249-25-3
MF:C8H11N
MW:121.179641962051
CID:1022015
PubChem ID:45092501
Update Time:2025-04-20

8-Azatetracyclo[4.3.0.03,9.04,7]nonane(9CI) Chemical and Physical Properties

Names and Identifiers

    • 8-Azatetracyclo[4.3.0.03,9.04,7]nonane(9CI)
    • 8-AZATETRACYCLO[4.3.0.03,9.04,7]NONANE
    • 56249-25-3
    • 8-Azatetracyclo[4.3.0.0~3,9~.0~4,7~]nonane
    • DTXSID80666981
    • Inchi: 1S/C8H11N/c1-3-5-2-6-4(1)7(3)9-8(5)6/h3-9H,1-2H2
    • InChI Key: QAEXSSMCYPTMSE-UHFFFAOYSA-N
    • SMILES: N1C2C3CC2C2CC3C12

Computed Properties

  • Exact Mass: 121.089149355g/mol
  • Monoisotopic Mass: 121.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 153
  • 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: 0.8
  • Topological Polar Surface Area: 12?2
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