ChemSpider 2D Image | (βS)-β-Amino-3-chlorobenzeneethanol | C8H10ClNO

(βS)-β-Amino-3-chlorobenzeneethanol

  • Molecular FormulaC8H10ClNO
  • Average mass171.624 Da
  • Monoisotopic mass171.045090 Da
  • ChemSpider ID27466965

  • 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-chlorophenyl)ethanol [ACD/IUPAC Name]
(2S)-2-Amino-2-(3-chlorophényl)éthanol [French] [ACD/IUPAC Name]
(2S)-2-Amino-2-(3-chlorphenyl)ethanol [German] [ACD/IUPAC Name]
(βS)-β-Amino-3-chlorobenzeneethanol
(S)-2-amino-2-(3-chlorophenyl)ethanol
663611-73-2 [RN]
Benzeneethanol, β-amino-3-chloro-, (βS)- [ACD/Index Name]
(2S)-2-amino-2-(3-chlorophenyl) ethan-1-ol
(2s)-2-amino-2-(3-chlorophenyl) ethan-1-ol(hydrochlorideform)
(2S)-2-AMINO-2-(3-CHLOROPHENYL)ETHAN-1-OL
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 316.8±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.9±3.0 kJ/mol
    Flash Point: 145.4±23.7 °C
    Index of Refraction: 1.587
    Molar Refractivity: 45.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): -1.97
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 46 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 136.1±3.0 cm3

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