ChemSpider 2D Image | tert-butyl 3-bromoazetidine-1-carboxylate | C8H14BrNO2

tert-butyl 3-bromoazetidine-1-carboxylate

  • Molecular FormulaC8H14BrNO2
  • Average mass236.106 Da
  • Monoisotopic mass235.020782 Da
  • ChemSpider ID26549295

More details:

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

1064194-10-0 [RN]
1-Azetidinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-bromo-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-brom-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Bromo-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-bromoazetidine-1-carboxylate
(S)-Methyl 4-amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate
[1064194-10-0] [RN]
1041026-70-3 [RN]
1-Boc-3-bromo-azetidine
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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: 257.8±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.5±3.0 kJ/mol
    Flash Point: 109.7±25.4 °C
    Index of Refraction: 1.523
    Molar Refractivity: 50.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): 1.97
    ACD/BCF (pH 5.5): 18.57
    ACD/KOC (pH 5.5): 281.77
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 18.57
    ACD/KOC (pH 7.4): 281.77
    Polar Surface Area: 30 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 163.6±3.0 cm3

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