Cas no 280-77-3 (1-Azabicyclo[3.3.1]nonane)

1-Azabicyclo[3.3.1]nonane structure
1-Azabicyclo[3.3.1]nonane structure
Product Name:1-Azabicyclo[3.3.1]nonane
CAS No:280-77-3
MF:C8H15N
MW:125.211402177811
CID:289182
PubChem ID:13759526
Update Time:2025-04-19

1-Azabicyclo[3.3.1]nonane Chemical and Physical Properties

Names and Identifiers

    • 1-Azabicyclo[3.3.1]nonane
    • Isogranatanine
    • 1-Azabicyclo[3.3.1]nonane(6CI,8CI,9CI)
    • SCHEMBL27729
    • DTXSID70548606
    • 280-77-3
    • azabicyclo[3.3.1]nonane
    • Inchi: 1S/C8H15N/c1-3-8-4-2-6-9(5-1)7-8/h8H,1-7H2
    • InChI Key: FMEHIMDNLRASDU-UHFFFAOYSA-N
    • SMILES: N12CCCC(CCC1)C2

Computed Properties

  • Exact Mass: 125.12055
  • Monoisotopic Mass: 125.120449483g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 90.7
  • 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
  • XLogP3: 1.5
  • Topological Polar Surface Area: 3.2?2

Experimental Properties

  • PSA: 3.24

1-Azabicyclo[3.3.1]nonane Related Literature

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