ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate | C17H28N2O5

Bis(2-methyl-2-propanyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate

  • Molecular FormulaC17H28N2O5
  • Average mass340.415 Da
  • Monoisotopic mass340.199829 Da
  • ChemSpider ID34983130

More details:

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

3,7-Diazabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
9-Oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3,7-dicarboxylat [German] [ACD/IUPAC Name]
1664366-95-3 [RN]
3,7-di-tert-butyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
di-tert-butyl 9-Oxo-3,7-diaza-bicyclo[3.3.1]nonane-3,7-dicarboxylate
Di-tert-butyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
MFCD28016263

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 442.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 221.4±28.7 °C
    Index of Refraction: 1.506
    Molar Refractivity: 87.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.44
    ACD/KOC (pH 5.5): 491.80
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.44
    ACD/KOC (pH 7.4): 491.80
    Polar Surface Area: 76 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 42.4±3.0 dyne/cm
    Molar Volume: 293.7±3.0 cm3

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