Cas no 58324-99-5 (3,7-Diazabicyclo[3.3.1]nonane, 3-methyl-)

3,7-Diazabicyclo[3.3.1]nonane, 3-methyl- structure
58324-99-5 structure
Product Name:3,7-Diazabicyclo[3.3.1]nonane, 3-methyl-
CAS No:58324-99-5
MF:C8H16N2
MW:140.226041793823
CID:342492
PubChem ID:20402569
Update Time:2025-04-19

3,7-Diazabicyclo[3.3.1]nonane, 3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3,7-Diazabicyclo[3.3.1]nonane, 3-methyl-
    • 3-methyl-3,7-diazabicyclo[3.3.1]nonane
    • DTXSID90606813
    • SCHEMBL16607881
    • 58324-99-5
    • AKOS006348948
    • Inchi： 1S/C8H16N2/c1-10-5-7-2-8(6-10)4-9-3-7/h7-9H,2-6H2,1H3
    • InChI Key： CSRBWSGDNSONNP-UHFFFAOYSA-N
    • SMILES： N1(C)CC2CNCC(C1)C2

Computed Properties

  • Exact Mass: 140.13148
  • Monoisotopic Mass: 140.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 112
  • 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: 0.3
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • PSA: 15.27

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