ChemSpider 2D Image | tert-Butyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate | C15H16N2O3

tert-Butyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate

  • Molecular FormulaC15H16N2O3
  • Average mass272.299 Da
  • Monoisotopic mass272.116089 Da
  • ChemSpider ID21474155

More details:

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

1,1-Dimethylethyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 5-cyano-3-(hydroxymethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-cyan-3-(hydroxymethyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
5-Cyano-3-(hydroxyméthyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
914349-11-4 [RN]
tert-Butyl 5-cyano-3-(hydroxymethyl)-1H-indole-1-carboxylate
[914349-11-4] [RN]
1-Boc-5-Cyano-3-hydroxymethylindole
1H-Indole-1-carboxylicacid, 5-cyano-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 461.5±53.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 232.9±30.9 °C
    Index of Refraction: 1.575
    Molar Refractivity: 75.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.12
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.46
    ACD/KOC (pH 5.5): 382.48
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.46
    ACD/KOC (pH 7.4): 382.48
    Polar Surface Area: 75 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 43.9±7.0 dyne/cm
    Molar Volume: 228.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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