ChemSpider 2D Image | 6-[(~2~H_5_)Phenylmethoxy]-9H-purin-2-amine | C12H6D5N5O

6-[(2H5)Phenylmethoxy]-9H-purin-2-amine

  • Molecular FormulaC12H6D5N5O
  • Average mass246.279 Da
  • Monoisotopic mass246.127747 Da
  • ChemSpider ID52082790
  • Non-standard isotope - Non-standard isotope


More details:






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

6-[(2H5)Phenylmethoxy]-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-[(2H5)Phenylmethoxy]-9H-purin-2-amine [ACD/IUPAC Name]
6-[(2H5)Phénylméthoxy]-9H-purin-2-amine [French] [ACD/IUPAC Name]
9H-Purin-2-amine, 6-(phenyl-d5-methoxy)- [ACD/Index Name]
O6-Benzyl-d5-guanine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 621.4±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±33.7 °C
Index of Refraction: 1.743
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.24
ACD/KOC (pH 5.5): 243.47
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.30
ACD/KOC (pH 7.4): 244.44
Polar Surface Area: 90 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 168.5±3.0 cm3

Click to predict properties on the Chemicalize site






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