ChemSpider 2D Image | 2-[3-(4-Chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine | C10H11ClN4

2-[3-(4-Chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine

  • Molecular FormulaC10H11ClN4
  • Average mass222.674 Da
  • Monoisotopic mass222.067230 Da
  • ChemSpider ID27065544

More details:

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

1H-1,2,4-Triazole-5-ethanamine, 3-(4-chlorophenyl)- [ACD/Index Name]
2-[3-(4-Chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine [ACD/IUPAC Name]
2-[3-(4-Chlorophényl)-1H-1,2,4-triazol-5-yl]éthanamine [French] [ACD/IUPAC Name]
2-[3-(4-Chlorphenyl)-1H-1,2,4-triazol-5-yl]ethanamin [German] [ACD/IUPAC Name]
1314892-70-0 [RN]
2-(3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl)ethanamine
2-[3-(4-Chlorophenyl)-1H-1,2,4-triazol-5-yl]ethylamine
2-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]ethanamine
2-[5-(4-Chloro-phenyl)-2H-[1,2,4]triazol-3-yl]-ethylamine
2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 437.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.5±3.0 kJ/mol
    Flash Point: 218.7±31.5 °C
    Index of Refraction: 1.626
    Molar Refractivity: 59.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.90
    ACD/LogD (pH 5.5): -1.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.38
    Polar Surface Area: 68 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 61.4±3.0 dyne/cm
    Molar Volume: 167.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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