ChemSpider 2D Image | (S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one | C13H19NO2

(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one

  • Molecular FormulaC13H19NO2
  • Average mass221.296 Da
  • Monoisotopic mass221.141586 Da
  • ChemSpider ID23078075

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanon [German] [ACD/IUPAC Name]
(2S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone [ACD/IUPAC Name]
(2S)-3-(Diméthylamino)-1-(3-méthoxyphényl)-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
1-Propanone, 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-, (2S)- [ACD/Index Name]
850222-40-1 [RN]
(2S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
(S)-3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone
(S)-3-Dimethylamino-1-(3-methoxyphenyl)-2-methyl-1-propanone
[850222-40-1] [RN]
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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: 1.0±0.1 g/cm3
    Boiling Point: 315.8±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.7±3.0 kJ/mol
    Flash Point: 144.8±22.3 °C
    Index of Refraction: 1.508
    Molar Refractivity: 65.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.27
    ACD/LogD (pH 5.5): -0.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.34
    Polar Surface Area: 30 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 34.9±3.0 dyne/cm
    Molar Volume: 218.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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