ChemSpider 2D Image | N-[(~2~H_5_)Phenylmethyl]-7H-purin-6-amine | C12H6D5N5

N-[(2H5)Phenylmethyl]-7H-purin-6-amine

  • Molecular FormulaC12H6D5N5
  • Average mass230.280 Da
  • Monoisotopic mass230.132828 Da
  • ChemSpider ID115008874
  • Non-standard isotope - Non-standard isotope


More details:






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

7H-Purin-6-amine, N-(phenyl-d5-methyl)- [ACD/Index Name]
N-[(2H5)Phenylmethyl]-7H-purin-6-amin [German] [ACD/IUPAC Name]
N-[(2H5)Phenylmethyl]-7H-purin-6-amine [ACD/IUPAC Name]
N-[(2H5)Phénylméthyl]-7H-purin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 529.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 274.0±25.9 °C
Index of Refraction: 1.766
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.65
ACD/KOC (pH 5.5): 419.06
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.36
ACD/KOC (pH 7.4): 428.24
Polar Surface Area: 66 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 80.4±3.0 dyne/cm
Molar Volume: 161.7±3.0 cm3

Click to predict properties on the Chemicalize site






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