ChemSpider 2D Image | 1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-{[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]methyl}methanamine | C15H26N6

1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-{[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]methyl}methanamine

  • Molecular FormulaC15H26N6
  • Average mass290.407 Da
  • Monoisotopic mass290.221893 Da
  • ChemSpider ID29728605

More details:

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

1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-{[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]methyl}methanamin [German] [ACD/IUPAC Name]
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-{[5-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]methyl}methanamine [ACD/IUPAC Name]
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)-N-méthyl-N-{[5-(2-méthyl-2-propanyl)-1H-pyrazol-3-yl]méthyl}méthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, N-[[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]methyl]-N-methyl-4-(1-methylethyl)- [ACD/Index Name]
1-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 450.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.0±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 86.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 14.88
ACD/KOC (pH 5.5): 190.71
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.06
ACD/KOC (pH 7.4): 423.86
Polar Surface Area: 63 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 38.3±7.0 dyne/cm
Molar Volume: 257.7±7.0 cm3

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