ChemSpider 2D Image | 3-(Ethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane | C9H18N2O2S

3-(Ethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane

  • Molecular FormulaC9H18N2O2S
  • Average mass218.316 Da
  • Monoisotopic mass218.108902 Da
  • ChemSpider ID32838388

More details:

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

1427014-13-8 [RN]
3-(ethanesulfonyl)-3,7-diazabicyclo[3.3.1]nonane
3-(Ethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan [German] [ACD/IUPAC Name]
3-(Ethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane [ACD/IUPAC Name]
3-(Éthylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane [French] [ACD/IUPAC Name]
3,7-Diazabicyclo[3.3.1]nonane, 3-(ethylsulfonyl)- [ACD/Index Name]
3-Ethanesulfonyl-3,7-diaza-bicyclo[3.3.1]nonane
3-ethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
AKOS023864548
MFCD23130657

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 346.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.1±3.0 kJ/mol
    Flash Point: 163.4±30.7 °C
    Index of Refraction: 1.551
    Molar Refractivity: 55.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.49
    ACD/LogD (pH 5.5): -2.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 47.9±5.0 dyne/cm
    Molar Volume: 175.4±5.0 cm3

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