ChemSpider 2D Image | 3-[(~2~H_5_)Phenyl(~2~H_2_)methyl]-3H-purin-6-amine | C12H4D7N5

3-[(2H5)Phenyl(2H2)methyl]-3H-purin-6-amine

  • Molecular FormulaC12H4D7N5
  • Average mass232.292 Da
  • Monoisotopic mass232.145386 Da
  • ChemSpider ID62871118

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(2H5)Phenyl(2H2)methyl]-3H-purin-6-amin [German] [ACD/IUPAC Name]
3-[(2H5)Phenyl(2H2)methyl]-3H-purin-6-amine [ACD/IUPAC Name]
3-[(2H5)Phényl(2H2)méthyl]-3H-purin-6-amine [French] [ACD/IUPAC Name]
3H-Purin-6-amine, 3-(phenyl-d5-methyl-d2)- [ACD/Index Name]
147028-87-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 373.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.6±30.7 °C
Index of Refraction: 1.739
Molar Refractivity: 65.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.76
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 46.84
Polar Surface Area: 66 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 162.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement