ChemSpider 2D Image | N~4~-[1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-2,4,6-pyrimidinetriamine | C9H14N8

N4-[1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-2,4,6-pyrimidinetriamine

  • Molecular FormulaC9H14N8
  • Average mass234.261 Da
  • Monoisotopic mass234.134140 Da
  • ChemSpider ID47483291

More details:

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

2,4,6-Pyrimidinetriamine, N4-[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]- [ACD/Index Name]
N4-[1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-2,4,6-pyrimidinetriamine [ACD/IUPAC Name]
N4-[1-(4-Méthyl-4H-1,2,4-triazol-3-yl)éthyl]-2,4,6-pyrimidinetriamine [French] [ACD/IUPAC Name]
N4-[1-(4-Methyl-4H-1,2,4-triazol-3-yl)ethyl]-2,4,6-pyrimidintriamin [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 651.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.8±34.3 °C
Index of Refraction: 1.781
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.50
Polar Surface Area: 121 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 70.1±7.0 dyne/cm
Molar Volume: 146.7±7.0 cm3

Click to predict properties on the Chemicalize site


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