ChemSpider 2D Image | N-[(1-sec-Butyl-1H-pyrazol-3-yl)methyl]-2,4,6-trichloroaniline | C14H16Cl3N3

N-[(1-sec-Butyl-1H-pyrazol-3-yl)methyl]-2,4,6-trichloroaniline

  • Molecular FormulaC14H16Cl3N3
  • Average mass332.656 Da
  • Monoisotopic mass331.040985 Da
  • ChemSpider ID45317201

More details:

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

1H-Pyrazole-3-methanamine, 1-(1-methylpropyl)-N-(2,4,6-trichlorophenyl)- [ACD/Index Name]
N-[(1-sec-Butyl-1H-pyrazol-3-yl)methyl]-2,4,6-trichloranilin [German] [ACD/IUPAC Name]
N-[(1-sec-Butyl-1H-pyrazol-3-yl)methyl]-2,4,6-trichloroaniline [ACD/IUPAC Name]
N-[(1-sec-Butyl-1H-pyrazol-3-yl)méthyl]-2,4,6-trichloroaniline [French] [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: 450.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.5±27.3 °C
Index of Refraction: 1.607
Molar Refractivity: 85.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2773.31
ACD/KOC (pH 5.5): 10140.53
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2774.04
ACD/KOC (pH 7.4): 10143.21
Polar Surface Area: 30 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 247.4±7.0 cm3

Click to predict properties on the Chemicalize site


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