ChemSpider 2D Image | 4-{[N-(5-Bromo-2-furoyl)-N-methylglycyl]amino}butanoic acid | C12H15BrN2O5

4-{[N-(5-Bromo-2-furoyl)-N-methylglycyl]amino}butanoic acid

  • Molecular FormulaC12H15BrN2O5
  • Average mass347.162 Da
  • Monoisotopic mass346.016418 Da
  • ChemSpider ID53956659

More details:

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

4-{[N-(5-Brom-2-furoyl)-N-methylglycyl]amino}butansäure [German] [ACD/IUPAC Name]
4-{[N-(5-Bromo-2-furoyl)-N-methylglycyl]amino}butanoic acid [ACD/IUPAC Name]
Acide 4-{[N-(5-bromo-2-furoyl)-N-méthylglycyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[(5-bromo-2-furanyl)carbonyl]methylamino]acetyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 614.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.3±31.5 °C
Index of Refraction: 1.557
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 226.8±3.0 cm3

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