ChemSpider 2D Image | 3-[(5-Bromo-4-methoxy-2-pyrimidinyl)amino]-2-hydroxy-2-methylpropanoic acid | C9H12BrN3O4

3-[(5-Bromo-4-methoxy-2-pyrimidinyl)amino]-2-hydroxy-2-methylpropanoic acid

  • Molecular FormulaC9H12BrN3O4
  • Average mass306.113 Da
  • Monoisotopic mass305.001099 Da
  • ChemSpider ID57953011

More details:

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

3-[(5-Brom-4-methoxy-2-pyrimidinyl)amino]-2-hydroxy-2-methylpropansäure [German] [ACD/IUPAC Name]
3-[(5-Bromo-4-methoxy-2-pyrimidinyl)amino]-2-hydroxy-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 3-[(5-bromo-4-méthoxy-2-pyrimidinyl)amino]-2-hydroxy-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(5-bromo-4-methoxy-2-pyrimidinyl)amino]-2-hydroxy-2-methyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 523.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.2±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 177.2±3.0 cm3

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