ChemSpider 2D Image | (E)-{1-[2-(Dimethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinylidene}(4-isobutoxy-3-methylphenyl)methanolate | C32H36N2O5

(E)-{1-[2-(Dimethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinylidene}(4-isobutoxy-3-methylphenyl)methanolate

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID4772615

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-{1-[2-(Dimethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinyliden}(4-isobutoxy-3-methylphenyl)methanolat [German] [ACD/IUPAC Name]
(E)-{1-[2-(Dimethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)-3-pyrrolidinylidene}(4-isobutoxy-3-methylphenyl)methanolate [ACD/IUPAC Name]
(E)-{1-[2-(Diméthylammonio)éthyl]-4,5-dioxo-2-(3-phénoxyphényl)-3-pyrrolidinylidène}(4-isobutoxy-3-méthylphényl)méthanolate [French] [ACD/IUPAC Name]
1-Pyrrolidineethanaminium, 3-[hydroxy[3-methyl-4-(2-methylpropoxy)phenyl]methylene]-N,N-dimethyl-4,5-dioxo-2-(3-phenoxyphenyl)-, inner salt, (3E)- [ACD/Index Name]
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

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

    Density:
    Boiling Point: 666.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.9±3.0 kJ/mol
    Flash Point: 356.6±34.3 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 7.11
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 15.92
    ACD/KOC (pH 5.5): 48.55
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 16.01
    ACD/KOC (pH 7.4): 48.83
    Polar Surface Area: 83 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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