ChemSpider 2D Image | 2-[4-(Dimethylamino)phenyl]-2-(~2~H_3_)methyl(~2~H_3_)propanoic acid | C12H11D6NO2

2-[4-(Dimethylamino)phenyl]-2-(2H3)methyl(2H3)propanoic acid

  • Molecular FormulaC12H11D6NO2
  • Average mass213.306 Da
  • Monoisotopic mass213.163589 Da
  • ChemSpider ID48059831

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[4-(Dimethylamino)phenyl]-2-(2H3)methyl(2H3)propanoic acid [ACD/IUPAC Name]
2-[4-(Dimethylamino)phenyl]-2-(2H3)methyl(2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-[4-(diméthylamino)phényl]-2-(2H3)méthyl(2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(dimethylamino)-α,α-di(methyl-d3)- [ACD/Index Name]
1346599-10-7 [RN]
4-(dimethylamino)-??,??-dimethylbenzeneacetic acid-d6

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 344.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.0±3.0 kJ/mol
    Flash Point: 161.8±23.2 °C
    Index of Refraction: 1.554
    Molar Refractivity: 60.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.31
    ACD/LogD (pH 5.5): 1.65
    ACD/BCF (pH 5.5): 6.28
    ACD/KOC (pH 5.5): 70.40
    ACD/LogD (pH 7.4): 0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.75
    Polar Surface Area: 41 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 41.5±3.0 dyne/cm
    Molar Volume: 188.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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