Cas no 659-05-2 (13-Azabicyclo[7.3.1]tridecane)

13-Azabicyclo[7.3.1]tridecane structure
13-Azabicyclo[7.3.1]tridecane structure
Product Name:13-Azabicyclo[7.3.1]tridecane
CAS No:659-05-2
MF:C12H23N
MW:181.31772351265
CID:2701740
PubChem ID:85935194
Update Time:2025-04-21

13-Azabicyclo[7.3.1]tridecane Chemical and Physical Properties

Names and Identifiers

    • 659-05-2
    • DTXSID001307879
    • 13-Azabicyclo[7.3.1]tridecane
    • Inchi: 1S/C12H23N/c1-2-4-7-11-9-6-10-12(13-11)8-5-3-1/h11-13H,1-10H2
    • InChI Key: IJHVFTDRRYNGBF-UHFFFAOYSA-N
    • SMILES: N1C2CCCCCCCC1CCC2

Computed Properties

  • Exact Mass: 181.183049738Da
  • Monoisotopic Mass: 181.183049738Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 130
  • 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: 12?2
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