ChemSpider 2D Image | 1-(2,3,6-Trichlorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]methanamine | C14H16Cl3N3

1-(2,3,6-Trichlorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]methanamine

  • Molecular FormulaC14H16Cl3N3
  • Average mass332.656 Da
  • Monoisotopic mass331.040985 Da
  • ChemSpider ID41013706

More details:

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

1-(2,3,6-Trichlorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]methanamine [ACD/IUPAC Name]
1-(2,3,6-Trichlorophényl)-N-[(1,3,5-triméthyl-1H-pyrazol-4-yl)méthyl]méthanamine [French] [ACD/IUPAC Name]
1-(2,3,6-Trichlorphenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]methanamin [German] [ACD/IUPAC Name]
1H-Pyrazole-4-methanamine, 1,3,5-trimethyl-N-[(2,3,6-trichlorophenyl)methyl]- [ACD/Index 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: 434.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.3±27.3 °C
Index of Refraction: 1.608
Molar Refractivity: 85.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 142.22
ACD/KOC (pH 5.5): 559.78
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1815.88
ACD/KOC (pH 7.4): 7147.36
Polar Surface Area: 30 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 246.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement