ChemSpider 2D Image | 2-(Dimethylamino)-2-phenyl(3,3,4,4,4-~2~H_5_)butyl 3,4,5-trimethoxybenzoate | C22H24D5NO5

2-(Dimethylamino)-2-phenyl(3,3,4,4,4-2H5)butyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC22H24D5NO5
  • Average mass392.500 Da
  • Monoisotopic mass392.235962 Da
  • ChemSpider ID35466998

  • Non-standard isotope - Non-standard isotope

More details:

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

1189928-38-8 [RN]
2-(Dimethylamino)-2-phenyl(3,3,4,4,4-2H5)butyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
2-(Dimethylamino)-2-phenyl(3,3,4,4,4-2H5)butyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de 2-(diméthylamino)-2-phényl(3,3,4,4,4-2H5)butyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl-3,3,4,4,4-d5 ester [ACD/Index Name]
[3,3,4,4,4-pentadeuterio-2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
Trimebutine-d5

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 457.9±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.8±3.0 kJ/mol
    Flash Point: 230.8±25.7 °C
    Index of Refraction: 1.534
    Molar Refractivity: 109.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 4.34
    ACD/LogD (pH 5.5): 1.99
    ACD/BCF (pH 5.5): 7.12
    ACD/KOC (pH 5.5): 44.29
    ACD/LogD (pH 7.4): 3.51
    ACD/BCF (pH 7.4): 240.32
    ACD/KOC (pH 7.4): 1494.89
    Polar Surface Area: 57 Å2
    Polarizability: 43.2±0.5 10-24cm3
    Surface Tension: 38.0±3.0 dyne/cm
    Molar Volume: 350.7±3.0 cm3

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