ChemSpider 2D Image | 5-[1-(4-Chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-yl]-4-methyl-2-pyrimidinamine | C15H15ClN6

5-[1-(4-Chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-yl]-4-methyl-2-pyrimidinamine

  • Molecular FormulaC15H15ClN6
  • Average mass314.773 Da
  • Monoisotopic mass314.104675 Da
  • ChemSpider ID30958832

More details:

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

2-Pyrimidinamine, 5-[1-[(4-chlorophenyl)methyl]-3-methyl-1H-1,2,4-triazol-5-yl]-4-methyl- [ACD/Index Name]
5-[1-(4-Chlorbenzyl)-3-methyl-1H-1,2,4-triazol-5-yl]-4-methyl-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[1-(4-Chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-yl]-4-methyl-2-pyrimidinamine [ACD/IUPAC Name]
5-[1-(4-Chlorobenzyl)-3-méthyl-1H-1,2,4-triazol-5-yl]-4-méthyl-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-[1-(4-chlorobenzyl)-3-methyl-1H-1,2,4-triazol-5-yl]-4-methylpyrimidin-2-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.6±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 86.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.71
ACD/KOC (pH 5.5): 1075.45
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.82
ACD/KOC (pH 7.4): 1076.49
Polar Surface Area: 83 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 222.5±7.0 cm3

Click to predict properties on the Chemicalize site


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