ChemSpider 2D Image | Ethyl 5-hydroxy-2-methyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1-benzofuran-3-carboxylate | C23H31NO4

Ethyl 5-hydroxy-2-methyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1-benzofuran-3-carboxylate

  • Molecular FormulaC23H31NO4
  • Average mass385.496 Da
  • Monoisotopic mass385.225311 Da
  • ChemSpider ID18484157

More details:

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

3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-, ethyl ester [ACD/Index Name]
5-Hydroxy-2-méthyl-4-[(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)méthyl]-1-benzofurane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-hydroxy-2-methyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-hydroxy-2-methyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methyl]-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]
880441-74-7 [RN]
AGN-PC-00I5GH
AKOS001516827
AKOS016377237
AS-871/43476986
ethyl 5-hydroxy-2-methyl-4-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl)benzofuran-3-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 479.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 243.5±27.3 °C
    Index of Refraction: 1.580
    Molar Refractivity: 110.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.37
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 7.16
    ACD/KOC (pH 5.5): 22.70
    ACD/LogD (pH 7.4): 3.56
    ACD/BCF (pH 7.4): 126.89
    ACD/KOC (pH 7.4): 402.01
    Polar Surface Area: 63 Å2
    Polarizability: 43.7±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 331.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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