ChemSpider 2D Image | N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-fluorophenyl)ethanamine | C20H22FN3

N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-fluorophenyl)ethanamine

  • Molecular FormulaC20H22FN3
  • Average mass323.407 Da
  • Monoisotopic mass323.179779 Da
  • ChemSpider ID22189728

More details:

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

1H-Pyrazole-4-methanamine, 3-(3,4-dimethylphenyl)-N-[2-(3-fluorophenyl)ethyl]- [ACD/Index Name]
N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-fluorophenyl)ethanamine [ACD/IUPAC Name]
N-{[3-(3,4-Diméthylphényl)-1H-pyrazol-4-yl]méthyl}-2-(3-fluorophényl)éthanamine [French] [ACD/IUPAC Name]
N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-fluorphenyl)ethanamin [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 516.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.9±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 9.73
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 82.25
ACD/KOC (pH 7.4): 366.65
Polar Surface Area: 41 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 281.9±3.0 cm3

Click to predict properties on the Chemicalize site


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