ChemSpider 2D Image | 2-Methyl-2-propanyl [(1R)-1-(5-bromo-2-pyridinyl)-2-hydroxyethyl]carbamate | C12H17BrN2O3

2-Methyl-2-propanyl [(1R)-1-(5-bromo-2-pyridinyl)-2-hydroxyethyl]carbamate

  • Molecular FormulaC12H17BrN2O3
  • Average mass317.179 Da
  • Monoisotopic mass316.042236 Da
  • ChemSpider ID65014636

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1R)-1-(5-Bromo-2-pyridinyl)-2-hydroxyéthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1R)-1-(5-bromo-2-pyridinyl)-2-hydroxyethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1R)-1-(5-brom-2-pyridinyl)-2-hydroxyethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R)-1-(5-bromo-2-pyridinyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(R)-tert-Butyl (1-(5-bromopyridin-2-yl)-2-hydroxyethyl)carbamate
2126088-15-9 [RN]
DS-20219
MFCD31539627

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 440.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.5±3.0 kJ/mol
    Flash Point: 219.9±28.7 °C
    Index of Refraction: 1.550
    Molar Refractivity: 71.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 17.14
    ACD/KOC (pH 5.5): 266.04
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 17.14
    ACD/KOC (pH 7.4): 266.02
    Polar Surface Area: 71 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 224.8±3.0 cm3

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