ChemSpider 2D Image | 1-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1-propanamine | C13H17N3O2S

1-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1-propanamine

  • Molecular FormulaC13H17N3O2S
  • Average mass279.358 Da
  • Monoisotopic mass279.104156 Da
  • ChemSpider ID29199957

More details:

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

1,2,4-Oxadiazole-5-methanamine, 3-(4-methoxyphenyl)-α-[2-(methylthio)ethyl]- [ACD/Index Name]
1-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1-propanamin [German] [ACD/IUPAC Name]
1-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1-propanamine [ACD/IUPAC Name]
1-[3-(4-Méthoxyphényl)-1,2,4-oxadiazol-5-yl]-3-(méthylsulfanyl)-1-propanamine [French] [ACD/IUPAC Name]
1-(3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)propan-1-amine
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
1154346-16-3 [RN]
AKOS009547504
BBL032238
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 450.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 226.4±31.5 °C
    Index of Refraction: 1.572
    Molar Refractivity: 76.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 8.76
    ACD/KOC (pH 5.5): 124.20
    ACD/LogD (pH 7.4): 2.10
    ACD/BCF (pH 7.4): 23.06
    ACD/KOC (pH 7.4): 326.98
    Polar Surface Area: 99 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 48.9±3.0 dyne/cm
    Molar Volume: 232.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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