ChemSpider 2D Image | Ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate | C15H19NO2

Ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate

  • Molecular FormulaC15H19NO2
  • Average mass245.317 Da
  • Monoisotopic mass245.141586 Da
  • ChemSpider ID26285772

More details:






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

3-Azabicyclo[3.1.0]hexane-1-carboxylic acid, 3-(phenylmethyl)-, ethyl ester [ACD/Index Name]
3-Benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
63618-07-5 [RN]
Ethyl 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylate [ACD/IUPAC Name]
Ethyl-3-benzyl-3-azabicyclo[3.1.0]hexan-1-carboxylat [German] [ACD/IUPAC Name]
Chemistry 13416
Ethyl 3-Benzyl-3-azabicyclo-[3.1.0]hexane-1-carboxylate
MFCD22566243 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 318.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±3.0 kJ/mol
    Flash Point: 111.2±14.0 °C
    Index of Refraction: 1.589
    Molar Refractivity: 69.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.11
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 10.10
    ACD/KOC (pH 7.4): 104.40
    Polar Surface Area: 30 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 205.7±3.0 cm3

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