Found 157 results

Search term: MF = 'C_{5}H_{6}N_{6}O'
ChemSpider 2D Image | 2,3-diamino-3H-purin-6(7H)-one | C5H6N6O

2,3-diamino-3H-purin-6(7H)-one

  • Molecular FormulaC5H6N6O
  • Average mass166.141 Da
  • Monoisotopic mass166.060303 Da
  • ChemSpider ID23980616

More details:

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

2,3-Diamino-3,7-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2,3-Diamino-3,7-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2,3-Diamino-3,7-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
2,3-diamino-3H-purin-6(7H)-one
556070-77-0 [RN]
6H-Purin-6-one, 2,3-diamino-3,7-dihydro- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 628.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.1±29.3 °C
Index of Refraction: 2.105
Molar Refractivity: 38.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.80
Polar Surface Area: 113 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 150.3±7.0 dyne/cm
Molar Volume: 71.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement