ChemSpider 2D Image | (1S)-2-Amino-1-(3,4-dichlorophenyl)ethanol | C8H9Cl2NO

(1S)-2-Amino-1-(3,4-dichlorophenyl)ethanol

  • Molecular FormulaC8H9Cl2NO
  • Average mass206.069 Da
  • Monoisotopic mass205.006119 Da
  • ChemSpider ID25950238

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-2-Amino-1-(3,4-dichlorophenyl)ethanol [ACD/IUPAC Name]
(1S)-2-Amino-1-(3,4-dichlorophényl)éthanol [French] [ACD/IUPAC Name]
(1S)-2-Amino-1-(3,4-dichlorphenyl)ethanol [German] [ACD/IUPAC Name]
Benzenemethanol, α-(aminomethyl)-3,4-dichloro-, (αS)- [ACD/Index Name]
(1S)-2-amino-1-(3,4-dichlorophenyl)ethan-1-ol
(s)-2-amino-1-(3,4-dichloro-phenyl)-ethanol
(S)-2-amino-1-(3,4-dichlorophenyl)ethanol
(α S)-α-(AMINOMETHYL)-3,4-DICHLORO-BENZENEMETHANOL
[390406-08-3] [RN]
390406-08-3 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 354.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.2±3.0 kJ/mol
    Flash Point: 167.9±26.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 50.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): -1.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.06
    Polar Surface Area: 46 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 53.3±3.0 dyne/cm
    Molar Volume: 148.1±3.0 cm3

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