ChemSpider 2D Image | 3-(~2~H_3_)Methyl(2,4,5,6,7-~2~H_5_)-1H-indole | C9HD8N

3-(2H3)Methyl(2,4,5,6,7-2H5)-1H-indole

  • Molecular FormulaC9HD8N
  • Average mass139.224 Da
  • Monoisotopic mass139.123718 Da
  • ChemSpider ID28295630

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Indole-2,4,5,6,7-d5, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl(2,4,5,6,7-2H5)-1H-indol [German] [ACD/IUPAC Name]
3-(2H3)Methyl(2,4,5,6,7-2H5)-1H-indole [ACD/IUPAC Name]
3-(2H3)Méthyl(2,4,5,6,7-2H5)-1H-indole [French] [ACD/IUPAC Name]
2,4,5,6,7-pentadeuterio-3-(trideuteriomethyl)-1H-indole
3-Methyl-1H-indole [ACD/IUPAC Name]
3-Methylindole-d8,NH
697807-03-7 [RN]
Skatole [Wiki]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 265.1±9.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.3±3.0 kJ/mol
    Flash Point: 112.5±11.3 °C
    Index of Refraction: 1.655
    Molar Refractivity: 43.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.60
    ACD/LogD (pH 5.5): 2.59
    ACD/BCF (pH 5.5): 54.33
    ACD/KOC (pH 5.5): 607.50
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 54.33
    ACD/KOC (pH 7.4): 607.50
    Polar Surface Area: 16 Å2
    Polarizability: 17.2±0.5 10-24cm3
    Surface Tension: 46.4±3.0 dyne/cm
    Molar Volume: 118.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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