ChemSpider 2D Image | 5-Bromo-2-(1-piperazinyl)-4-pyrimidinecarboxylic acid | C9H11BrN4O2

5-Bromo-2-(1-piperazinyl)-4-pyrimidinecarboxylic acid

  • Molecular FormulaC9H11BrN4O2
  • Average mass287.113 Da
  • Monoisotopic mass286.006531 Da
  • ChemSpider ID21541406

More details:

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

4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-piperazinyl)- [ACD/Index Name]
5-Brom-2-(1-piperazinyl)-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-Bromo-2-(1-piperazinyl)-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
Acide 5-bromo-2-(1-pipérazinyl)-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
5-bromo-2-piperazin-1-ylpyrimidine-4-carboxylic acid
914208-47-2 [RN]
MFCD08690774

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

Density: 1.7±0.1 g/cm3
Boiling Point: 501.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 256.9±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 172.9±3.0 cm3

Click to predict properties on the Chemicalize site


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