ChemSpider 2D Image | tert-butyl 6-methyl-1H-indole-1-carboxylate | C14H17NO2

tert-butyl 6-methyl-1H-indole-1-carboxylate

  • Molecular FormulaC14H17NO2
  • Average mass231.290 Da
  • Monoisotopic mass231.125931 Da
  • ChemSpider ID21476694

More details:

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

1,1-Dimethylethyl 6-methyl-1H-indole-1-carboxylate
127956-24-5 [RN]
1H-Indole-1-carboxylic acid, 6-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-methyl-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-methyl-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
6-Méthyl-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 6-methyl-1H-indole-1-carboxylate
[127956-24-5] [RN]
MFCD11504944 [MDL number]

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-22449]
    • Safety:

      20/21/22 Novochemy [NC-22449]
      20/21/36/37/39 Novochemy [NC-22449]
      GHS07; GHS09 Novochemy [NC-22449]
      H332; H403 Novochemy [NC-22449]
      P301+P310; P337+P313 Novochemy [NC-22449]
      Warning Novochemy [NC-22449]
      Xn Novochemy [NC-22449]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 337.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 157.8±25.9 °C
Index of Refraction: 1.537
Molar Refractivity: 68.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 328.99
ACD/KOC (pH 5.5): 2204.97
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 328.99
ACD/KOC (pH 7.4): 2204.97
Polar Surface Area: 31 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 35.1±7.0 dyne/cm
Molar Volume: 217.4±7.0 cm3

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