ChemSpider 2D Image | 3-[5-ethyl-2-(4-isopropylphenyl)-1,2,4-triazol-3-yl]propanoic acid | C16H21N3O2

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

  • Molecular FormulaC16H21N3O2
  • Average mass287.357 Da
  • Monoisotopic mass287.163391 Da
  • ChemSpider ID21801558

More details:

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

1142202-64-9 [RN]
1H-1,2,4-Triazole-5-propanoic acid, 3-ethyl-1-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
3-[3-Ethyl-1-(4-isopropylphenyl)-1H-1,2,4-triazol-5-yl]propanoic acid [ACD/IUPAC Name]
3-[3-Ethyl-1-(4-isopropylphenyl)-1H-1,2,4-triazol-5-yl]propansäure [German] [ACD/IUPAC Name]
3-[5-ethyl-2-(4-isopropylphenyl)-1,2,4-triazol-3-yl]propanoic acid
3-{3-ethyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,4-triazol-5-yl}propanoic acid
Acide 3-[3-éthyl-1-(4-isopropylphényl)-1H-1,2,4-triazol-5-yl]propanoïque [French] [ACD/IUPAC Name]
1H-1,2,4-triazole-5-propanoic acid, 3-ethyl-1-[4-(1-methylethyl)phenyl]
3-(3-Ethyl-1-(4-isopropylphenyl)-1H-1,2,4-triazol-5-yl)propanoic acid
3-[5-ethyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]propanoic acid

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

MFCD12028237 [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: 494.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.2±3.0 kJ/mol
    Flash Point: 252.9±31.5 °C
    Index of Refraction: 1.587
    Molar Refractivity: 82.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.51
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 4.50
    ACD/KOC (pH 5.5): 44.28
    ACD/LogD (pH 7.4): -0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 42.1±7.0 dyne/cm
    Molar Volume: 245.3±7.0 cm3

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