ChemSpider 2D Image | 4-Isocyanato-1-(methylsulfonyl)piperidine | C7H12N2O3S

4-Isocyanato-1-(methylsulfonyl)piperidine

  • Molecular FormulaC7H12N2O3S
  • Average mass204.247 Da
  • Monoisotopic mass204.056870 Da
  • ChemSpider ID22763998

More details:

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

4-Isocyanato-1-(methylsulfonyl)piperidin [German] [ACD/IUPAC Name]
4-Isocyanato-1-(methylsulfonyl)piperidine [ACD/IUPAC Name]
4-Isocyanato-1-(méthylsulfonyl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 4-isocyanato-1-(methylsulfonyl)- [ACD/Index Name]
1016886-27-3 [RN]
4-isocyanato-1-methanesulfonylpiperidine
MFCD09949865 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 322.2±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.4±3.0 kJ/mol
    Flash Point: 148.7±30.7 °C
    Index of Refraction: 1.582
    Molar Refractivity: 49.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.93
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 3.09
    ACD/KOC (pH 5.5): 77.98
    ACD/LogD (pH 7.4): 0.95
    ACD/BCF (pH 7.4): 3.09
    ACD/KOC (pH 7.4): 77.98
    Polar Surface Area: 75 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 53.6±7.0 dyne/cm
    Molar Volume: 149.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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