ChemSpider 2D Image | (2S)-2-Amino-2-(2,4,6-trichlorophenyl)ethanol | C8H8Cl3NO

(2S)-2-Amino-2-(2,4,6-trichlorophenyl)ethanol

  • Molecular FormulaC8H8Cl3NO
  • Average mass240.514 Da
  • Monoisotopic mass238.967148 Da
  • ChemSpider ID27468703

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-2-(2,4,6-trichlorophenyl)ethanol [ACD/IUPAC Name]
(2S)-2-Amino-2-(2,4,6-trichlorophényl)éthanol [French] [ACD/IUPAC Name]
(2S)-2-Amino-2-(2,4,6-trichlorphenyl)ethanol [German] [ACD/IUPAC Name]
Benzeneethanol, β-amino-2,4,6-trichloro-, (βS)- [ACD/Index Name]
(2S)-2-AMINO-2-(2,4,6-TRICHLOROPHENYL)ETHAN-1-OL
1213390-72-7 [RN]
MFCD14567486

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 378.8±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 182.9±26.5 °C
    Index of Refraction: 1.611
    Molar Refractivity: 55.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): -0.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.80
    ACD/BCF (pH 7.4): 1.22
    ACD/KOC (pH 7.4): 18.39
    Polar Surface Area: 46 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 55.0±3.0 dyne/cm
    Molar Volume: 160.0±3.0 cm3

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