ChemSpider 2D Image | tert-butyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate | C12H20N2O3

tert-butyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID32743288

More details:

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

1312456-05-5 [RN]
2-Methyl-2-propanyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-carboxylat [German] [ACD/IUPAC Name]
3,9-Diazabicyclo[4.2.1]nonane-9-carboxylic acid, 4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
4-Oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
9-Boc-4-oxo-3,9-diaza-bicyclo[4.2.1]nonane
Chemistry 13398
MFCD22566168
tert-Butyl 3-oxo-4,9-diazabicyclo[4.2.1]nonane-9-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 405.2±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 198.9±26.8 °C
    Index of Refraction: 1.500
    Molar Refractivity: 62.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.28
    ACD/LogD (pH 5.5): 0.57
    ACD/BCF (pH 5.5): 1.60
    ACD/KOC (pH 5.5): 48.65
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.60
    ACD/KOC (pH 7.4): 48.65
    Polar Surface Area: 59 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 39.2±3.0 dyne/cm
    Molar Volume: 211.5±3.0 cm3

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