ChemSpider 2D Image | 6-Amino-3-benzyl-3H-purin-1-ium | C12H12N5

6-Amino-3-benzyl-3H-purin-1-ium

  • Molecular FormulaC12H12N5
  • Average mass226.257 Da
  • Monoisotopic mass226.108719 Da
  • ChemSpider ID129179634

  • Charge - Charge

More details:

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

3H-Purin-6-amine, 3-(phenylmethyl)-, conjugate monoacid [ACD/Index Name]
6-Amino-3-benzyl-3H-purin-1-ium [German] [ACD/IUPAC Name]
6-Amino-3-benzyl-3H-purin-1-ium [ACD/IUPAC Name]
6-Amino-3-benzyl-3H-purin-1-ium [French] [ACD/IUPAC Name]

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

Density:
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:
Molar Refractivity:
#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: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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