ChemSpider 2D Image | tert-Butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate | C11H17NO3

tert-Butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID27471201

More details:

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

1251013-26-9 [RN]
2-Methyl-2-propanyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-oxo-3-azabicyclo[3.1.1]heptan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
6-Oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate
1305208-01-8 [RN]
2-(pyridin-2-yl)-1H-benzo[d]imidazole-6-carboxylic acid
3-BOC-3-AZABICYCLO[3.1.1]HEPTAN-6-ONE
3-Boc-6-oxo-3-azabicyclo[3.1.1]heptane
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 308.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.9±3.0 kJ/mol
    Flash Point: 140.2±25.9 °C
    Index of Refraction: 1.515
    Molar Refractivity: 54.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.24
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 7.74
    ACD/KOC (pH 5.5): 150.54
    ACD/LogD (pH 7.4): 1.47
    ACD/BCF (pH 7.4): 7.74
    ACD/KOC (pH 7.4): 150.54
    Polar Surface Area: 47 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 180.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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