ChemSpider 2D Image | 1-[3-(3-Chlorophenyl)-1H-1,2,4-triazol-5-yl]-2-methyl-1-propanamine | C12H15ClN4

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

  • Molecular FormulaC12H15ClN4
  • Average mass250.727 Da
  • Monoisotopic mass250.098526 Da
  • ChemSpider ID29359967

More details:

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

1-[3-(3-Chlorophenyl)-1H-1,2,4-triazol-5-yl]-2-methyl-1-propanamine [ACD/IUPAC Name]
1-[3-(3-Chlorophényl)-1H-1,2,4-triazol-5-yl]-2-méthyl-1-propanamine [French] [ACD/IUPAC Name]
1-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-amine
1-[3-(3-Chlorphenyl)-1H-1,2,4-triazol-5-yl]-2-methyl-1-propanamin [German] [ACD/IUPAC Name]
1707402-00-3 [RN]
1H-1,2,4-Triazole-5-methanamine, 3-(3-chlorophenyl)-α-(1-methylethyl)- [ACD/Index Name]
1-(3-(3-Chlorophenyl)-1H-1,2,4-triazol-5-yl)-2-methylpropan-1-amine
1-[5-(3-Chloro-phenyl)-2H-[1,2,4]triazol-3-yl]-2-methyl-propylamine
AKOS016054107
MFCD26526769

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 438.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 219.1±31.5 °C
    Index of Refraction: 1.595
    Molar Refractivity: 68.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.99
    ACD/LogD (pH 5.5): 0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.42
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 8.45
    ACD/KOC (pH 7.4): 108.39
    Polar Surface Area: 68 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 202.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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