ChemSpider 2D Image | 1,2-Ethanediylbis[(3-endo)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate) | C34H44N2O8

1,2-Ethanediylbis[(3-endo)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate)

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID10393329

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

1,2-Ethandiylbis[(3-endo)-8-azabicyclo[3.2.1]octan-8,3-diyl]-bis(3,4-dimethoxybenzoat) [German] [ACD/IUPAC Name]
1,2-Ethanediylbis[(3-endo)-8-azabicyclo[3.2.1]octane-8,3-diyl] bis(3,4-dimethoxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4-dimethoxy-, 1,2-ethanediylbis[(3-endo)-8-azabicyclo[3.2.1]octane-8,3-diyl] ester [ACD/Index Name]
Bis(3,4-diméthoxybenzoate) de 1,2-éthanediylbis[(3-endo)-8-azabicyclo[3.2.1]octane-8,3-diyle] [French] [ACD/IUPAC Name]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 695.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.8±3.0 kJ/mol
    Flash Point: 374.3±31.5 °C
    Index of Refraction: 1.603
    Molar Refractivity: 163.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 6.24
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.51
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 12.13
    ACD/KOC (pH 7.4): 35.41
    Polar Surface Area: 96 Å2
    Polarizability: 64.8±0.5 10-24cm3
    Surface Tension: 56.9±5.0 dyne/cm
    Molar Volume: 475.8±5.0 cm3

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