ChemSpider 2D Image | 4-{(1R)-1-Hydroxy-2-[(~2~H_3_)methylamino]ethyl}-1,2-benzenediol | C9H10D3NO3

4-{(1R)-1-Hydroxy-2-[(2H3)methylamino]ethyl}-1,2-benzenediol

  • Molecular FormulaC9H10D3NO3
  • Average mass186.223 Da
  • Monoisotopic mass186.108368 Da
  • ChemSpider ID48062857

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzenediol, 4-[(1R)-1-hydroxy-2-(methyl-d3-amino)ethyl]- [ACD/Index Name]
4-{(1R)-1-Hydroxy-2-[(2H3)methylamino]ethyl}-1,2-benzenediol [ACD/IUPAC Name]
4-{(1R)-1-Hydroxy-2-[(2H3)méthylamino]éthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
4-{(1R)-1-Hydroxy-2-[(2H3)methylamino]ethyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]
1217733-17-9 [RN]
4-[(1R)-1-hydroxy-2-(trideuteriomethylamino)ethyl]benzene-1,2-diol
4-{(1R)-1-Hydroxy-2-[(2H3)methylamino]ethyl}benzene-1,2-diol

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 413.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.2±3.0 kJ/mol
    Flash Point: 207.9±17.9 °C
    Index of Refraction: 1.608
    Molar Refractivity: 49.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.63
    ACD/LogD (pH 5.5): -3.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 73 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 59.9±3.0 dyne/cm
    Molar Volume: 142.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement