ChemSpider 2D Image | Methyl 6-[(tert-butoxycarbonyl)amino]-3-formyl-1H-indole-4-carboxylate | C16H18N2O5

Methyl 6-[(tert-butoxycarbonyl)amino]-3-formyl-1H-indole-4-carboxylate

  • Molecular FormulaC16H18N2O5
  • Average mass318.324 Da
  • Monoisotopic mass318.121582 Da
  • ChemSpider ID21374094

More details:

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

1H-Indole-4-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-3-formyl-, methyl ester [ACD/Index Name]
3-Formyl-6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1H-indole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
731810-57-4 [RN]
Methyl 3-formyl-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-indole-4-carboxylate [ACD/IUPAC Name]
Methyl 6-[(tert-butoxycarbonyl)amino]-3-formyl-1H-indole-4-carboxylate
Methyl 6-[[(1,1-dimethylethoxy)carbonyl]amino]-3-formyl-1H-indole-4-carboxylate
methyl 6-{[(tert-butoxy)carbonyl]amino}-3-formyl-1H-indole-4-carboxylate
Methyl-3-formyl-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-indol-4-carboxylat [German] [ACD/IUPAC Name]
6-tert-Butoxycarbonylamino-3-formyl-1H-indole-4-carboxylic acid methyl ester
carboxylate [Wiki]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 473.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.7±3.0 kJ/mol
    Flash Point: 240.2±28.7 °C
    Index of Refraction: 1.643
    Molar Refractivity: 86.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 71.52
    ACD/KOC (pH 5.5): 739.63
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 71.52
    ACD/KOC (pH 7.4): 739.63
    Polar Surface Area: 97 Å2
    Polarizability: 34.5±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 240.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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