ChemSpider 2D Image | tert-Butyl-3-(2-cyanpropan-2-yl)-1H-indol-1-carboxylat | C17H20N2O2

tert-Butyl-3-(2-cyanpropan-2-yl)-1H-indol-1-carboxylat

  • Molecular FormulaC17H20N2O2
  • Average mass284.353 Da
  • Monoisotopic mass284.152466 Da
  • ChemSpider ID23078123

More details:

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

1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2-cyano-2-propanyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-cyan-2-propanyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
3-(2-Cyano-2-propanyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
380626-46-0 [RN]
tert-butyl 3-(2-cyanopropan-2-yl)-1H-indole-1-carboxylate
tert-Butyl-3-(2-cyanpropan-2-yl)-1H-indol-1-carboxylat
[380626-46-0] [RN]
1H-Indole-1-carboxylic acid,3-(1-cyano-1-methylethyl)-,1-(1,1-dimethylethyl)ester
1H-Indole-1-carboxylic acid,3-(1-cyano-1-methylethyl)-,1,1-dimethylethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 422.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 209.1±26.5 °C
    Index of Refraction: 1.542
    Molar Refractivity: 84.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 599.62
    ACD/KOC (pH 5.5): 3388.48
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 599.62
    ACD/KOC (pH 7.4): 3388.48
    Polar Surface Area: 55 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 37.2±7.0 dyne/cm
    Molar Volume: 267.0±7.0 cm3

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