ChemSpider 2D Image | Bis(2-methyl-2-propanyl) 9-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate | C17H30N2O5

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

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID34983129

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-hydroxy-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
9-Hydroxy-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-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-9-hydroxy-3,7-diazabicyclo[3.3.1]nonan-3,7-dicarboxylat [German] [ACD/IUPAC Name]
228270-29-9 [RN]
3,7-di-tert-butyl 9-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
di-tert-butyl 9-Hydroxy-3,7-diaza-bicyclo[3.3.1]nonane-3,7-dicarboxylate
Di-tert-butyl 9-hydroxy-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
MFCD28016262

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 444.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.0±6.0 kJ/mol
    Flash Point: 222.6±28.7 °C
    Index of Refraction: 1.515
    Molar Refractivity: 88.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.45
    ACD/KOC (pH 5.5): 391.89
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.45
    ACD/KOC (pH 7.4): 391.89
    Polar Surface Area: 79 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 44.3±3.0 dyne/cm
    Molar Volume: 294.2±3.0 cm3

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