ChemSpider 2D Image | 1-(2,5-Dichlorophenoxy)-3-{[2-(~2~H_3_)methyl(~2~H_6_)-2-propanyl]amino}-2-propanol | C13H10D9Cl2NO2

1-(2,5-Dichlorophenoxy)-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanol

  • Molecular FormulaC13H10D9Cl2NO2
  • Average mass301.257 Da
  • Monoisotopic mass300.135773 Da
  • ChemSpider ID48059073

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2,5-Dichlorophenoxy)-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanol [ACD/IUPAC Name]
1-(2,5-Dichlorophénoxy)-3-{[2-(2H3)méthyl(2H6)-2-propanyl]amino}-2-propanol [French] [ACD/IUPAC Name]
1-(2,5-Dichlorphenoxy)-3-{[2-(2H3)methyl(2H6)-2-propanyl]amino}-2-propanol [German] [ACD/IUPAC Name]
2-Propanol, 1-(2,5-dichlorophenoxy)-3-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]- [ACD/Index Name]
1-(2,5-dichlorophenoxy)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-2-ol
1795031-39-8 [RN]
chloranolol-d9

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 408.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 200.7±28.7 °C
    Index of Refraction: 1.534
    Molar Refractivity: 75.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.17
    ACD/LogD (pH 5.5): 0.49
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.90
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 4.93
    ACD/KOC (pH 7.4): 35.44
    Polar Surface Area: 41 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 243.1±3.0 cm3

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