ChemSpider 2D Image | (E)-(4-Butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}methanolate | C31H42N2O7

(E)-(4-Butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}methanolate

  • Molecular FormulaC31H42N2O7
  • Average mass554.674 Da
  • Monoisotopic mass554.299194 Da
  • ChemSpider ID4802379

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-(4-Butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinyliden}methanolat [German] [ACD/IUPAC Name]
(E)-(4-Butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene}methanolate [ACD/IUPAC Name]
(E)-(4-Butoxy-3-méthylphényl){1-[2-(diéthylammonio)éthyl]-4,5-dioxo-2-(3,4,5-triméthoxyphényl)-3-pyrrolidinylidène}méthanolate [French] [ACD/IUPAC Name]
1-Pyrrolidineethanaminium, 3-[(4-butoxy-3-methylphenyl)hydroxymethylene]-N,N-diethyl-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)-, inner salt, (3E)- [ACD/Index Name]
(4E)-4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
(E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate

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

    Density:
    Boiling Point: 671.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 359.7±34.3 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 5.80
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 1.46
    ACD/KOC (pH 5.5): 8.73
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 1.56
    ACD/KOC (pH 7.4): 9.29
    Polar Surface Area: 102 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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