ChemSpider 2D Image | 9-Methyl-N-{[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]methyl}-9H-purin-2-amine | C14H13N9

9-Methyl-N-{[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]methyl}-9H-purin-2-amine

  • Molecular FormulaC14H13N9
  • Average mass307.313 Da
  • Monoisotopic mass307.129395 Da
  • ChemSpider ID114821463

More details:

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

9H-Purin-2-amine, 9-methyl-N-[[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]methyl]- [ACD/Index Name]
9-Methyl-N-{[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]methyl}-9H-purin-2-amin [German] [ACD/IUPAC Name]
9-Methyl-N-{[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]methyl}-9H-purin-2-amine [ACD/IUPAC Name]
9-Méthyl-N-{[2-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]méthyl}-9H-purin-2-amine [French] [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: 666.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.9±34.3 °C
Index of Refraction: 1.819
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.97
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.56
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.12
Polar Surface Area: 99 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 197.6±7.0 cm3

Click to predict properties on the Chemicalize site


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