ChemSpider 2D Image | 4-Amino-3-bromo-3,3a-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one | C5H4BrN5O

4-Amino-3-bromo-3,3a-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one

  • Molecular FormulaC5H4BrN5O
  • Average mass230.022 Da
  • Monoisotopic mass228.959915 Da
  • ChemSpider ID95681879

More details:

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

4-Amino-3-brom-3,3a-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-on [German] [ACD/IUPAC Name]
4-Amino-3-bromo-3,3a-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one [ACD/IUPAC Name]
4-Amino-3-bromo-3,3a-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-d]pyrimidin-6-one, 4-amino-3-bromo-3,3a-dihydro- [ACD/Index Name]

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

Density: 2.8±0.1 g/cm3
Boiling Point: 352.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.2±30.7 °C
Index of Refraction: 2.088
Molar Refractivity: 43.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.56
Polar Surface Area: 93 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 126.6±7.0 dyne/cm
Molar Volume: 81.4±7.0 cm3

Click to predict properties on the Chemicalize site


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