ChemSpider 2D Image | (2S)-2-Amino-2-(3-iodo-2-methylphenyl)ethanol | C9H12INO

(2S)-2-Amino-2-(3-iodo-2-methylphenyl)ethanol

  • Molecular FormulaC9H12INO
  • Average mass277.102 Da
  • Monoisotopic mass276.996338 Da
  • ChemSpider ID27446401

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-2-(3-iod-2-methylphenyl)ethanol [German] [ACD/IUPAC Name]
(2S)-2-Amino-2-(3-iodo-2-methylphenyl)ethanol [ACD/IUPAC Name]
(2S)-2-Amino-2-(3-iodo-2-méthylphényl)éthanol [French] [ACD/IUPAC Name]
Benzeneethanol, β-amino-3-iodo-2-methyl-, (βS)- [ACD/Index Name]
(2S)-2-AMINO-2-(3-IODO-2-METHYLPHENYL)ETHAN-1-OL
MFCD14567350

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 378.7±42.0 °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±27.9 °C
    Index of Refraction: 1.641
    Molar Refractivity: 58.6±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): -1.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 46 Å2
    Polarizability: 23.2±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 162.5±3.0 cm3

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