ChemSpider 2D Image | 2-Methyl-2-propanyl 8-bromo-5-ethyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate | C18H23BrN2O2

2-Methyl-2-propanyl 8-bromo-5-ethyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate

  • Molecular FormulaC18H23BrN2O2
  • Average mass379.291 Da
  • Monoisotopic mass378.094269 Da
  • ChemSpider ID35227424

More details:

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

2H-Pyrido[4,3-b]indole-2-carboxylic acid, 8-bromo-5-ethyl-1,3,4,5-tetrahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 8-bromo-5-ethyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-8-brom-5-ethyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-carboxylat [German] [ACD/IUPAC Name]
8-Bromo-5-éthyl-1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indole-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1858256-79-7 [RN]
MFCD29034973
tert-butyl 8-bromo-5-ethyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
tert-butyl 8-bromo-5-ethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-2-carboxylate
tert-butyl 8-bromo-5-ethyl-1H,3H,4H-pyrido[4,3-b]indole-2-carboxylate
tert-butyl 8-bromo-5-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 489.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.6±3.0 kJ/mol
    Flash Point: 249.7±28.7 °C
    Index of Refraction: 1.606
    Molar Refractivity: 95.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.65
    ACD/LogD (pH 5.5): 4.88
    ACD/BCF (pH 5.5): 2995.70
    ACD/KOC (pH 5.5): 10716.99
    ACD/LogD (pH 7.4): 4.88
    ACD/BCF (pH 7.4): 2995.70
    ACD/KOC (pH 7.4): 10716.99
    Polar Surface Area: 34 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 42.5±7.0 dyne/cm
    Molar Volume: 276.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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