ChemSpider 2D Image | Melatonin-d4 | C13H12D4N2O2

Melatonin-d4

  • Molecular FormulaC13H12D4N2O2
  • Average mass236.303 Da
  • Monoisotopic mass236.146286 Da
  • ChemSpider ID23630278

  • Non-standard isotope - Non-standard isotope

More details:

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

66521-38-8 [RN]
Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl-1,1,2,2-d4]- [ACD/Index Name]
Melatonin-d4
MFCD03428096
N-[2-(5-Methoxy-1H-indol-3-yl)(2H4)ethyl]acetamid [German] [ACD/IUPAC Name]
N-[2-(5-Methoxy-1H-indol-3-yl)(2H4)ethyl]acetamide [ACD/IUPAC Name]
N-[2-(5-Méthoxy-1H-indol-3-yl)(2H4)éthyl]acétamide [French] [ACD/IUPAC Name]
Melatonin [Wiki]
Melatonin D5
Melatonin, N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 512.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 264.0±27.3 °C
    Index of Refraction: 1.600
    Molar Refractivity: 67.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.30
    ACD/KOC (pH 5.5): 209.82
    ACD/LogD (pH 7.4): 1.74
    ACD/BCF (pH 7.4): 12.30
    ACD/KOC (pH 7.4): 209.82
    Polar Surface Area: 54 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 197.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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