ChemSpider 2D Image | cis-3,7-Diazabicyclo[3.3.0]octane | C6H12N2

cis-3,7-Diazabicyclo[3.3.0]octane

  • Molecular FormulaC6H12N2
  • Average mass112.173 Da
  • Monoisotopic mass112.100044 Da
  • ChemSpider ID29785905

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

19885-60-0 [RN]
cis-3,7-Diazabicyclo[3.3.0]octane
cis-Octahydropyrrolo[3,4-c]pyrrol [German] [ACD/IUPAC Name]
cis-Octahydropyrrolo[3,4-c]pyrrole [ACD/IUPAC Name]
cis-Octahydropyrrolo[3,4-c]pyrrole [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole, octahydro-, cis- [ACD/Index Name]
(3as,6as)-octahydropyrrolo[3,4-c]pyrrole
5840-00-6 [RN]
cis-3,7-Diaza-bicyclo<3.3.0>octan
MFCD27935365 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 193.8±8.0 °C at 760 mmHg
    Vapour Pressure: 0.5±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.0±3.0 kJ/mol
    Flash Point: 90.2±10.2 °C
    Index of Refraction: 1.476
    Molar Refractivity: 32.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.51
    ACD/LogD (pH 5.5): -4.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 24 Å2
    Polarizability: 12.9±0.5 10-24cm3
    Surface Tension: 32.5±3.0 dyne/cm
    Molar Volume: 115.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement