ChemSpider 2D Image | tert-Butyl (5-bromo-3-methoxypyridin-2-yl)methylcarbamate | C12H17BrN2O3

tert-Butyl (5-bromo-3-methoxypyridin-2-yl)methylcarbamate

  • Molecular FormulaC12H17BrN2O3
  • Average mass317.179 Da
  • Monoisotopic mass316.042236 Da
  • ChemSpider ID25992962

More details:

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

[(5-Bromo-3-méthoxy-2-pyridinyl)méthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-[(5-bromo-3-methoxy-2-pyridinyl)methyl]carbamate
1138443-96-5 [RN]
2-Methyl-2-propanyl [(5-bromo-3-methoxy-2-pyridinyl)methyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(5-brom-3-methoxy-2-pyridinyl)methyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(5-bromo-3-methoxy-2-pyridinyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD11857664 [MDL number]
tert-Butyl (5-bromo-3-methoxypyridin-2-yl)methylcarbamate
[1138443-96-5] [RN]
ST-0798
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 393.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 191.9±27.9 °C
    Index of Refraction: 1.529
    Molar Refractivity: 72.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 82.40
    ACD/KOC (pH 5.5): 818.36
    ACD/LogD (pH 7.4): 2.82
    ACD/BCF (pH 7.4): 82.43
    ACD/KOC (pH 7.4): 818.68
    Polar Surface Area: 60 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 234.0±3.0 cm3

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