ChemSpider 2D Image | 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methylethanamine | C13H22N6

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methylethanamine

  • Molecular FormulaC13H22N6
  • Average mass262.354 Da
  • Monoisotopic mass262.190582 Da
  • ChemSpider ID35050185

More details:

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

1H-1,2,4-Triazole-3-methanamine, N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-ethyl-N-methyl- [ACD/Index Name]
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methylethanamin [German] [ACD/IUPAC Name]
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methylethanamine [ACD/IUPAC Name]
2-(3,5-Diméthyl-1H-pyrazol-1-yl)-N-[(5-éthyl-1H-1,2,4-triazol-3-yl)méthyl]-N-méthyléthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.6±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 76.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 38.87
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.13
ACD/KOC (pH 7.4): 204.44
Polar Surface Area: 63 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 221.9±7.0 cm3

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