ChemSpider 2D Image | 3,4-Dimethyl-1H-pyrrole-2-carbonitrile | C7H8N2

3,4-Dimethyl-1H-pyrrole-2-carbonitrile

  • Molecular FormulaC7H8N2
  • Average mass120.152 Da
  • Monoisotopic mass120.068748 Da
  • ChemSpider ID23979133

More details:

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

1H-Pyrrole-2-carbonitrile, 3,4-dimethyl- [ACD/Index Name]
26173-93-3 [RN]
3,4-Dimethyl-1H-pyrrol-2-carbonitril [German] [ACD/IUPAC Name]
3,4-Dimethyl-1H-pyrrole-2-carbonitrile [ACD/IUPAC Name]
3,4-Diméthyl-1H-pyrrole-2-carbonitrile [French] [ACD/IUPAC Name]
3,4-Dimethyl-pyrrole-2-carbonitrile
MFCD12923806
Pyrrole-2-carbonitrile, 3,4-dimethyl- (8CI)

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 281.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 105.0±11.1 °C
    Index of Refraction: 1.530
    Molar Refractivity: 34.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.05
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 7.92
    ACD/KOC (pH 5.5): 152.82
    ACD/LogD (pH 7.4): 1.49
    ACD/BCF (pH 7.4): 7.96
    ACD/KOC (pH 7.4): 153.64
    Polar Surface Area: 40 Å2
    Polarizability: 13.7±0.5 10-24cm3
    Surface Tension: 46.0±5.0 dyne/cm
    Molar Volume: 111.7±5.0 cm3

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