ChemSpider 2D Image | 3-[2-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]propanoic acid | C15H19N3O2

3-[2-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]propanoic acid

  • Molecular FormulaC15H19N3O2
  • Average mass273.330 Da
  • Monoisotopic mass273.147736 Da
  • ChemSpider ID21801607

More details:

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

1142209-99-1 [RN]
1H-1,2,4-Triazole-5-propanoic acid, 1-(3,5-dimethylphenyl)-3-ethyl- [ACD/Index Name]
3-[1-(3,5-Dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-yl]propanoic acid [ACD/IUPAC Name]
3-[1-(3,5-Dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-yl]propansäure [German] [ACD/IUPAC Name]
3-[2-(3,5-dimethylphenyl)-5-ethyl-1,2,4-triazol-3-yl]propanoic acid
Acide 3-[1-(3,5-diméthylphényl)-3-éthyl-1H-1,2,4-triazol-5-yl]propanoïque [French] [ACD/IUPAC Name]
3-(1-(3,5-Dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-yl)propanoic acid
3-[1-(3,5-dimethylphenyl)-3-ethyl-1,2,4-triazol-5-yl]propanoic acid

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

MFCD12028286 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 519.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.4±3.0 kJ/mol
    Flash Point: 268.1±32.9 °C
    Index of Refraction: 1.594
    Molar Refractivity: 77.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 1.54
    ACD/BCF (pH 5.5): 4.34
    ACD/KOC (pH 5.5): 43.12
    ACD/LogD (pH 7.4): -0.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 42.8±7.0 dyne/cm
    Molar Volume: 229.3±7.0 cm3

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