Cas no 90961-45-8 (3,7-Diazabicyclo[3.3.1]nonane,3,7-dibutyl-9,9-dimethyl-)

3,7-Diazabicyclo[3.3.1]nonane,3,7-dibutyl-9,9-dimethyl- structure
90961-45-8 structure
Product Name:3,7-Diazabicyclo[3.3.1]nonane,3,7-dibutyl-9,9-dimethyl-
CAS No:90961-45-8
MF:C17H34N2
MW:266.465264797211
CID:804352
PubChem ID:198668
Update Time:2025-04-19

3,7-Diazabicyclo[3.3.1]nonane,3,7-dibutyl-9,9-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 3,7-Diazabicyclo[3.3.1]nonane,3,7-dibutyl-9,9-dimethyl-
    • 3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
    • 90961-45-8
    • 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
    • DTXSID70238333
    • NS00039380
    • 3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibutyl-9,9-dimethyl-
    • SCHEMBL10673408
    • EINECS 292-692-8
    • CHEMBL323442
    • N,N-Di-n-butyl-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
    • Inchi: 1S/C17H34N2/c1-5-7-9-18-11-15-13-19(10-8-6-2)14-16(12-18)17(15,3)4/h15-16H,5-14H2,1-4H3
    • InChI Key: MUQFLLKQSNNHIW-UHFFFAOYSA-N
    • SMILES: N1(CCCC)CC2CN(CCCC)CC(C1)C2(C)C

Computed Properties

  • Exact Mass: 266.272
  • Monoisotopic Mass: 266.272
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 236
  • 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: 4.1
  • Topological Polar Surface Area: 6.5?2

Experimental Properties

  • Density: 0.881
  • Boiling Point: 318.2°Cat760mmHg
  • Flash Point: 131.5°C
  • Refractive Index: 1.467
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