ChemSpider 2D Image | 1-Ethyl 3-(2-methyl-2-propanyl) (1S,5S)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate | C13H21NO4

1-Ethyl 3-(2-methyl-2-propanyl) (1S,5S)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate

  • Molecular FormulaC13H21NO4
  • Average mass255.310 Da
  • Monoisotopic mass255.147064 Da
  • ChemSpider ID60599491

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-3-Azabicyclo[3.1.0]hexane-1,3-dicarboxylate de 1-éthyle et de 3-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-Ethyl 3-(2-methyl-2-propanyl) (1S,5S)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate [ACD/IUPAC Name]
1-Ethyl-3-(2-methyl-2-propanyl)-(1S,5S)-3-azabicyclo[3.1.0]hexan-1,3-dicarboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-1,3-dicarboxylic acid, 3-(1,1-dimethylethyl) 1-ethyl ester, (1S,5S)- [ACD/Index Name]
(1S,5S)-3-tert-butyl 1-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
racemic- (1S,5S)-3-tert-butyl 1-ethyl 3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate(WXC06278)

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 315.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.5±23.2 °C
    Index of Refraction: 1.518
    Molar Refractivity: 65.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 38.07
    ACD/KOC (pH 5.5): 471.01
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 38.07
    ACD/KOC (pH 7.4): 471.01
    Polar Surface Area: 56 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 46.2±3.0 dyne/cm
    Molar Volume: 214.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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