ChemSpider 2D Image | (E)-Lumefantrine | C30H32Cl3NO

(E)-Lumefantrine

  • Molecular FormulaC30H32Cl3NO
  • Average mass528.940 Da
  • Monoisotopic mass527.154968 Da
  • ChemSpider ID4470768

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-Lumefantrine
2-(Dibutylamino)-1-[(9E)-2,7-dichlor-9-(4-chlorbenzyliden)-9H-fluoren-4-yl]ethanol [German] [ACD/IUPAC Name]
2-(Dibutylamino)-1-[(9E)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol [ACD/IUPAC Name]
2-(Dibutylamino)-1-[(9E)-2,7-dichloro-9-(4-chlorobenzylidène)-9H-fluorén-4-yl]éthanol [French] [ACD/IUPAC Name]
2-(dibutylamino)-1-{2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl}ethan-1-ol
204133-10-8 [RN]
9H-Fluorene-4-methanol, 2,7-dichloro-9-[(4-chlorophenyl)methylene]-α-[(dibutylamino)methyl]-, (9E)- [ACD/Index Name]
(Z)-2-(dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol
1185240-53-2 [RN]
2-(Dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 642.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.6±3.0 kJ/mol
    Flash Point: 342.3±31.5 °C
    Index of Refraction: 1.634
    Molar Refractivity: 151.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 11.37
    ACD/LogD (pH 5.5): 6.55
    ACD/BCF (pH 5.5): 11890.75
    ACD/KOC (pH 5.5): 4557.28
    ACD/LogD (pH 7.4): 8.12
    ACD/BCF (pH 7.4): 436263.19
    ACD/KOC (pH 7.4): 167203.42
    Polar Surface Area: 23 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 422.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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