ChemSpider 2D Image | 1-Boc-4-aminoindole | C13H16N2O2


  • Molecular FormulaC13H16N2O2
  • Average mass232.278 Da
  • Monoisotopic mass232.121185 Da
  • ChemSpider ID21521377

More details:

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

1,1-Dimethylethyl 4-amino-1H-indole-1-carboxylate
1H-Indole-1-carboxylic acid, 4-amino-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-amino-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-amino-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
4-Amino-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
885270-30-4 [RN]
tert-butyl 4-amino-1H-indole-1-carboxylate
[885270-30-4] [RN]

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-02026]
    • Safety:

      20/21/22 Novochemy [NC-02026]
      20/21/36/37/39 Novochemy [NC-02026]
      GHS07; GHS09 Novochemy [NC-02026]
      H304; H332 Novochemy [NC-02026]
      P301+P310; P337+P313 Novochemy [NC-02026]
      R22 Novochemy [NC-02026]
      Warning Novochemy [NC-02026]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 384.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.1±25.7 °C
Index of Refraction: 1.572
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.38
ACD/KOC (pH 5.5): 615.69
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 59.03
ACD/KOC (pH 7.4): 644.55
Polar Surface Area: 57 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 199.0±7.0 cm3

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