Cas no 1128-77-4 (3,9-Diazabicyclo[4.2.1]nonan-4-one,3,9-dimethyl-)

3,9-Diazabicyclo[4.2.1]nonan-4-one,3,9-dimethyl- structure
1128-77-4 structure
Product Name:3,9-Diazabicyclo[4.2.1]nonan-4-one,3,9-dimethyl-
CAS No:1128-77-4
MF:C9H16N2O
MW:168.236142158508
CID:237087
PubChem ID:282181
Update Time:2025-04-19

3,9-Diazabicyclo[4.2.1]nonan-4-one,3,9-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 3,9-Diazabicyclo[4.2.1]nonan-4-one,3,9-dimethyl-
    • 4,9-dimethyl-4,9-diazabicyclo[4.2.1]nonan-3-one
    • 3,9-Dimethyl-3,9-diazabicyclo[4.2.1]nonan-4-one
    • AC1L5VWD
    • AC1Q6LIY
    • AG-K-94172
    • AR-1F0326
    • CTK4A8007
    • NSC135362
    • NSC-135362
    • 3,9-Diazabicyclo[4.2.1]nonan-4-one, 3,9-dimethyl-
    • 3,9-Dimethyl-3,9-diazabicyclo[4.2.1]nonan-4-one #
    • HNDXTHOYSWHZEI-UHFFFAOYSA-N
    • NSC 135362
    • DTXSID10300205
    • AKOS040765651
    • 1128-77-4
    • Inchi： 1S/C9H16N2O/c1-10-6-8-4-3-7(11(8)2)5-9(10)12/h7-8H,3-6H2,1-2H3
    • InChI Key： HNDXTHOYSWHZEI-UHFFFAOYSA-N
    • SMILES： O=C1CC2CCC(CN1C)N2C

Computed Properties

  • Exact Mass: 168.12638
  • Monoisotopic Mass: 168.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 205
  • 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: 0.1
  • Topological Polar Surface Area: 23.6?2

Experimental Properties

  • Density: 1.056
  • Boiling Point: 281.5°Cat760mmHg
  • Flash Point: 120°C
  • Refractive Index: 1.502
  • PSA: 23.55
  • LogP: 0.18710

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