ChemSpider 2D Image | 6-{3-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-1H-purine | C19H20N8

6-{3-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-1H-purine

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID29627091

More details:

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

6-{3-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-1H-purin [German] [ACD/IUPAC Name]
6-{3-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-1H-purine [ACD/IUPAC Name]
6-{3-[(4-Phényl-1H-1,2,3-triazol-1-yl)méthyl]-1-pipéridinyl}-1H-purine [French] [ACD/IUPAC Name]
9H-Purine, 6-[3-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl]- [ACD/Index Name]
6-{3-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]piperidin-1-yl}-9H-purine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 695.2±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.2±33.7 °C
Index of Refraction: 1.786
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 5.61
ACD/KOC (pH 5.5): 48.70
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 101.55
ACD/KOC (pH 7.4): 880.96
Polar Surface Area: 88 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 245.6±7.0 cm3

Click to predict properties on the Chemicalize site


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