ChemSpider 2D Image | 1-{1-[3-Isobutyl-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazine | C17H33N5

1-{1-[3-Isobutyl-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazine

  • Molecular FormulaC17H33N5
  • Average mass307.477 Da
  • Monoisotopic mass307.273590 Da
  • ChemSpider ID62743790

More details:

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

1-{1-[3-Isobutyl-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazin [German] [ACD/IUPAC Name]
1-{1-[3-Isobutyl-1-(2-methyl-2-propanyl)-1H-1,2,4-triazol-5-yl]ethyl}-4-methylpiperazine [ACD/IUPAC Name]
1-{1-[3-Isobutyl-1-(2-méthyl-2-propanyl)-1H-1,2,4-triazol-5-yl]éthyl}-4-méthylpipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[1-[1-(1,1-dimethylethyl)-3-(2-methylpropyl)-1H-1,2,4-triazol-5-yl]ethyl]-4-methyl- [ACD/Index Name]
1-[1-(1-tert-butyl-3-isobutyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylpiperazine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 433.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.7±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 93.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.81
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 30.56
ACD/KOC (pH 7.4): 322.51
Polar Surface Area: 37 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 34.8±7.0 dyne/cm
Molar Volume: 290.3±7.0 cm3

Click to predict properties on the Chemicalize site


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