Cas no 774477-60-0 (3-Azabicyclo[4.2.1]nonane-3-ethanamine)

3-Azabicyclo[4.2.1]nonane-3-ethanamine structure
774477-60-0 structure
Product Name:3-Azabicyclo[4.2.1]nonane-3-ethanamine
CAS No:774477-60-0
MF:C10H20N2
MW:168.279202461243
CID:552421
PubChem ID:45088964
Update Time:2025-04-19

3-Azabicyclo[4.2.1]nonane-3-ethanamine Chemical and Physical Properties

Names and Identifiers

    • 3-Azabicyclo[4.2.1]nonane-3-ethanamine
    • 3-Azabicyclo[4.2.1]nonane-3-ethanamine(9CI)
    • 2-(4-azabicyclo[4.2.1]nonan-4-yl)ethanamine
    • 2-(3-Azabicyclo[4.2.1]nonan-3-yl)ethan-1-amine
    • 774477-60-0
    • DTXSID00666367
    • Inchi: 1S/C10H20N2/c11-4-6-12-5-3-9-1-2-10(7-9)8-12/h9-10H,1-8,11H2
    • InChI Key: RBWVOPCMTWOVPT-UHFFFAOYSA-N
    • SMILES: N1(CCN)CCC2CCC(C1)C2

Computed Properties

  • Exact Mass: 168.1628
  • Monoisotopic Mass: 168.163
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 147
  • 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
  • Topological Polar Surface Area: 29.3A^2
  • XLogP3: 1

Experimental Properties

  • PSA: 29.26
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