ChemSpider 2D Image | 1-ISOPROPYLPYRROLE-3-CARBALDEHYDE | C8H11NO

1-ISOPROPYLPYRROLE-3-CARBALDEHYDE

  • Molecular FormulaC8H11NO
  • Average mass137.179 Da
  • Monoisotopic mass137.084061 Da
  • ChemSpider ID24023016

More details:

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

1-(propan-2-yl)-1H-pyrrole-3-carbaldehyde
1H-Pyrrole-3-carboxaldehyde, 1-(1-methylethyl)- [ACD/Index Name]
1-Isopropyl-1H-pyrrol-3-carbaldehyd [German] [ACD/IUPAC Name]
1-Isopropyl-1H-pyrrole-3-carbaldehyde [ACD/IUPAC Name]
1-Isopropyl-1H-pyrrole-3-carbaldéhyde [French] [ACD/IUPAC Name]
1-ISOPROPYLPYRROLE-3-CARBALDEHYDE
30186-45-9 [RN]
[30186-45-9] [RN]
1-propan-2-ylpyrrole-3-carbaldehyde
GS-5430
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 213.4±13.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.0±3.0 kJ/mol
    Flash Point: 82.9±19.8 °C
    Index of Refraction: 1.506
    Molar Refractivity: 41.3±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.51
    ACD/LogD (pH 5.5): 1.41
    ACD/BCF (pH 5.5): 6.95
    ACD/KOC (pH 5.5): 139.36
    ACD/LogD (pH 7.4): 1.41
    ACD/BCF (pH 7.4): 6.95
    ACD/KOC (pH 7.4): 139.36
    Polar Surface Area: 22 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 33.1±7.0 dyne/cm
    Molar Volume: 139.0±7.0 cm3

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