ChemSpider 2D Image | (S)-1-(4-Fluoro-3-methylphenyl)ethanamine | C9H12FN

(S)-1-(4-Fluoro-3-methylphenyl)ethanamine

  • Molecular FormulaC9H12FN
  • Average mass153.197 Da
  • Monoisotopic mass153.095383 Da
  • ChemSpider ID28537303

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(4-Fluor-3-methylphenyl)ethanamin [German] [ACD/IUPAC Name]
(1S)-1-(4-Fluoro-3-methylphenyl)ethanamine [ACD/IUPAC Name]
(1S)-1-(4-Fluoro-3-méthylphényl)éthanamine [French] [ACD/IUPAC Name]
(S)-1-(4-Fluoro-3-methylphenyl)ethanamine
1213299-63-8 [RN]
Benzenemethanamine, 4-fluoro-α,3-dimethyl-, (αS)- [ACD/Index Name]
(1S)-1-(4-fluoro-3-methylphenyl)ethan-1-amine
(S)-1-(4-fluoro-3-methylphenyl)ethan-1-amine
(αS)-4-fluoro-α,3-dimethylbenzenemethanamine
[1213299-63-8] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 206.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.3±3.0 kJ/mol
    Flash Point: 88.0±11.1 °C
    Index of Refraction: 1.512
    Molar Refractivity: 44.2±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): -1.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.10
    Polar Surface Area: 26 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 34.4±3.0 dyne/cm
    Molar Volume: 147.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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