ChemSpider 2D Image | tert-Butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate | C12H19NO4

tert-Butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID13254141

More details:

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

280761-97-9 [RN]
2-Methyl-2-propanyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-oxo-3-oxa-9-azabicyclo[3.3.1]nonan-9-carboxylat [German] [ACD/IUPAC Name]
3-Oxa-9-azabicyclo[3.3.1]nonane-9-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
7-Oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
[280761-97-9] [RN]
3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylmethoxybutanoic acid
3-Oxa-9-azabicyclo[3.3.1]nonan-7-one N-BOC protected
3-Oxa-9-azabicyclo[3.3.1]nonan-7-one, N-BOC protected
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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: 356.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.1±3.0 kJ/mol
    Flash Point: 169.2±27.9 °C
    Index of Refraction: 1.497
    Molar Refractivity: 60.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.42
    ACD/LogD (pH 5.5): 0.79
    ACD/BCF (pH 5.5): 2.35
    ACD/KOC (pH 5.5): 64.18
    ACD/LogD (pH 7.4): 0.79
    ACD/BCF (pH 7.4): 2.35
    ACD/KOC (pH 7.4): 64.18
    Polar Surface Area: 56 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 40.6±3.0 dyne/cm
    Molar Volume: 206.5±3.0 cm3

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