Deprecated ChemSpider Record

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ChemSpider 2D Image | 1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium | C8H11N4O2


  • Molecular FormulaC8H11N4O2
  • Average mass195.198 Da
  • Monoisotopic mass195.087646 Da
  • ChemSpider ID24737566
  • Charge - Charge

More details:

Date of deprecation: 09:39, Jun 4, 2014
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Boiling Point: 416.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±0.0 kJ/mol
Flash Point: 205.9±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.22
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.22
Polar Surface Area: 60 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

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