ChemSpider 2D Image | 2-Methyl-2-propanyl (4-amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetate | C11H14BrN5O2

2-Methyl-2-propanyl (4-amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetate

  • Molecular FormulaC11H14BrN5O2
  • Average mass328.165 Da
  • Monoisotopic mass327.033081 Da
  • ChemSpider ID114833848

More details:

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

(4-Amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidine-1-acetic acid, 4-amino-3-bromo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl (4-amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(4-amino-3-brom-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetat [German] [ACD/IUPAC Name]
2680533-60-0 [RN]
tert-butyl 2-{4-amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 467.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.4±28.7 °C
Index of Refraction: 1.678
Molar Refractivity: 72.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.91
ACD/KOC (pH 5.5): 252.05
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.93
ACD/KOC (pH 7.4): 252.47
Polar Surface Area: 96 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 193.5±7.0 cm3

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