ChemSpider 2D Image | 3-[4-(Methylsulfonyl)-1-piperazinyl]-3-oxopropanenitrile | C8H13N3O3S

3-[4-(Methylsulfonyl)-1-piperazinyl]-3-oxopropanenitrile

  • Molecular FormulaC8H13N3O3S
  • Average mass231.272 Da
  • Monoisotopic mass231.067764 Da
  • ChemSpider ID40512964

More details:

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

1-Piperazinepropanenitrile, 4-(methylsulfonyl)-β-oxo- [ACD/Index Name]
3-[4-(Methylsulfonyl)-1-piperazinyl]-3-oxopropanenitrile [ACD/IUPAC Name]
3-[4-(Méthylsulfonyl)-1-pipérazinyl]-3-oxopropanenitrile [French] [ACD/IUPAC Name]
3-[4-(Methylsulfonyl)-1-piperazinyl]-3-oxopropannitril [German] [ACD/IUPAC Name]
1492720-09-8 [RN]
3-(4-(methylsulfonyl)piperazin-1-yl)-3-oxopropanenitrile
MFCD17269511

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 467.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 236.3±31.5 °C
    Index of Refraction: 1.559
    Molar Refractivity: 53.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -1.40
    ACD/LogD (pH 5.5): -1.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.20
    ACD/LogD (pH 7.4): -3.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 90 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 62.5±5.0 dyne/cm
    Molar Volume: 166.3±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement