ChemSpider 2D Image | 2-Methyl-2-propanyl 5-(aminomethyl)-3-bromo-1,2-oxazole-2(3H)-carboxylate | C9H15BrN2O3

2-Methyl-2-propanyl 5-(aminomethyl)-3-bromo-1,2-oxazole-2(3H)-carboxylate

  • Molecular FormulaC9H15BrN2O3
  • Average mass279.131 Da
  • Monoisotopic mass278.026611 Da
  • ChemSpider ID28293832

More details:

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

2(3H)-Isoxazolecarboxylic acid, 5-(aminomethyl)-3-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-(aminomethyl)-3-bromo-1,2-oxazole-2(3H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-(aminomethyl)-3-brom-1,2-oxazol-2(3H)-carboxylat [German] [ACD/IUPAC Name]
5-(Aminométhyl)-3-bromo-1,2-oxazole-2(3H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
154016-57-6 [RN]
N-Boc-5-(Aminomethyl)-3-bromoisoxazole
tert-butyl ((3-bromoisoxazol-5-yl)methyl)carbamate
tert-Butyl ((3-methylisoxazol-5-yl)methyl)carbamate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 286.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.6±3.0 kJ/mol
    Flash Point: 127.1±30.1 °C
    Index of Refraction: 1.544
    Molar Refractivity: 59.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): -2.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 65 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 188.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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