ChemSpider 2D Image | 9-Methyl-6-(1H-pyrrol-1-yl)-9H-purine | C10H9N5

9-Methyl-6-(1H-pyrrol-1-yl)-9H-purine

  • Molecular FormulaC10H9N5
  • Average mass199.212 Da
  • Monoisotopic mass199.085800 Da
  • ChemSpider ID21122396

More details:

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

9H-Purine, 9-methyl-6-(1H-pyrrol-1-yl)- [ACD/Index Name]
9-Methyl-6-(1H-pyrrol-1-yl)-9H-purin [German] [ACD/IUPAC Name]
9-Methyl-6-(1H-pyrrol-1-yl)-9H-purine [ACD/IUPAC Name]
9-Méthyl-6-(1H-pyrrol-1-yl)-9H-purine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 401.6±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.7±29.6 °C
Index of Refraction: 1.744
Molar Refractivity: 57.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 104.50
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.65
ACD/KOC (pH 7.4): 104.50
Polar Surface Area: 49 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 142.9±7.0 cm3

Click to predict properties on the Chemicalize site


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