ChemSpider 2D Image | (2S)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(~2~H_7_)-2-propanylamino]-2-propanol | C15H18D7NO3

(2S)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(2H7)-2-propanylamino]-2-propanol

  • Molecular FormulaC15H18D7NO3
  • Average mass274.407 Da
  • Monoisotopic mass274.227386 Da
  • ChemSpider ID48061606

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(2H7)-2-propanylamino]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(2H7)-2-propanylamino]-2-propanol [ACD/IUPAC Name]
(2S)-1-[4-(2-Méthoxyéthyl)phénoxy]-3-[(2H7)-2-propanylamino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]-, (2S)- [ACD/Index Name]
(2S)-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
1292906-91-2 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 398.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±3.0 kJ/mol
    Flash Point: 194.9±26.5 °C
    Index of Refraction: 1.508
    Molar Refractivity: 77.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.79
    ACD/LogD (pH 5.5): -1.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.92
    Polar Surface Area: 51 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 37.1±3.0 dyne/cm
    Molar Volume: 258.7±3.0 cm3

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