ChemSpider 2D Image | N-{[1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-2-(3-methyl-1H-1,2,4-triazol-5-yl)ethanamine | C17H21ClN6

N-{[1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-2-(3-methyl-1H-1,2,4-triazol-5-yl)ethanamine

  • Molecular FormulaC17H21ClN6
  • Average mass344.842 Da
  • Monoisotopic mass344.151611 Da
  • ChemSpider ID30406536

More details:

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

1H-1,2,4-Triazole-3-ethanamine, N-[[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl]-5-methyl- [ACD/Index Name]
N-{[1-(4-Chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-2-(3-methyl-1H-1,2,4-triazol-5-yl)ethanamine [ACD/IUPAC Name]
N-{[1-(4-Chlorophényl)-3,5-diméthyl-1H-pyrazol-4-yl]méthyl}-2-(3-méthyl-1H-1,2,4-triazol-5-yl)éthanamine [French] [ACD/IUPAC Name]
N-{[1-(4-Chlorphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}-2-(3-methyl-1H-1,2,4-triazol-5-yl)ethanamin [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 292.0±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 96.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 8.07
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 53.91
ACD/KOC (pH 7.4): 408.58
Polar Surface Area: 71 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 261.8±7.0 cm3

Click to predict properties on the Chemicalize site


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