Cas no 281-19-6 (1,3,5,7-Tetraazabicyclo[3.3.1]nonane)

1,3,5,7-Tetraazabicyclo[3.3.1]nonane structure
281-19-6 structure
Product Name:1,3,5,7-Tetraazabicyclo[3.3.1]nonane
CAS No:281-19-6
MF:C5H12N4
MW:128.175580024719
CID:265652
PubChem ID:12528105
Update Time:2025-04-19

1,3,5,7-Tetraazabicyclo[3.3.1]nonane Chemical and Physical Properties

Names and Identifiers

    • 1,3,5,7-Tetraazabicyclo[3.3.1]nonane
    • 1,5-Endomethylene-1,3,5,7-tetraazacyclooctane
    • 1,3,5,7-tetrazabicyclo[3.3.1]nonane
    • SCHEMBL549946
    • 281-19-6
    • DTXSID30501419
    • AKOS006357735
    • Inchi： 1S/C5H12N4/c1-6-2-9-4-7-3-8(1)5-9/h6-7H,1-5H2
    • InChI Key： KJZXBZDPQCZOIV-UHFFFAOYSA-N
    • SMILES： N12CNCN(CNC1)C2

Computed Properties

  • Exact Mass: 128.10636
  • Monoisotopic Mass: 128.106196400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 85.1
  • 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: -0.5
  • Topological Polar Surface Area: 30.5?2

Experimental Properties

  • PSA: 30.54

1,3,5,7-Tetraazabicyclo[3.3.1]nonane Related Literature

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