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Search term: YMYIRGXYTSENMW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-1-(2-Propoxyphenyl)ethanamine | C11H17NO

(1S)-1-(2-Propoxyphenyl)ethanamine

  • Molecular FormulaC11H17NO
  • Average mass179.259 Da
  • Monoisotopic mass179.131012 Da
  • ChemSpider ID32799718

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(2-Propoxyphenyl)ethanamin [German] [ACD/IUPAC Name]
(1S)-1-(2-Propoxyphenyl)ethanamine [ACD/IUPAC Name]
(1S)-1-(2-Propoxyphényl)éthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-methyl-2-propoxy-, (αS)- [ACD/Index Name]
(1s)-1-(2-propoxyphenyl)ethylamine
(s)-1-(2-propoxyphenyl)ethan-1-amine
(S)-1-(2-propoxyphenyl)ethanamine
1213541-54-8 [RN]
MFCD09829238

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 278.9±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.8±3.0 kJ/mol
    Flash Point: 118.2±15.9 °C
    Index of Refraction: 1.514
    Molar Refractivity: 55.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): -0.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.44
    Polar Surface Area: 35 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 35.3±3.0 dyne/cm
    Molar Volume: 183.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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