ChemSpider 2D Image | Methyl 6-amino-9-benzyl-2-(dimethylamino)-9H-purine-8-carboxylate | C16H18N6O2

Methyl 6-amino-9-benzyl-2-(dimethylamino)-9H-purine-8-carboxylate

  • Molecular FormulaC16H18N6O2
  • Average mass326.353 Da
  • Monoisotopic mass326.149109 Da
  • ChemSpider ID30660147

More details:

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

6-Amino-9-benzyl-2-(diméthylamino)-9H-purine-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
9H-Purine-8-carboxylic acid, 6-amino-2-(dimethylamino)-9-(phenylmethyl)-, methyl ester [ACD/Index Name]
Methyl 6-amino-9-benzyl-2-(dimethylamino)-9H-purine-8-carboxylate [ACD/IUPAC Name]
Methyl-6-amino-9-benzyl-2-(dimethylamino)-9H-purin-8-carboxylat [German] [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: 574.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.1±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.62
ACD/KOC (pH 5.5): 296.33
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.46
ACD/KOC (pH 7.4): 322.67
Polar Surface Area: 99 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 238.3±7.0 cm3

Click to predict properties on the Chemicalize site


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