ChemSpider 2D Image | 4-{[(2-Bromo-2-propen-1-yl)carbamoyl](methyl)amino}butanoic acid | C9H15BrN2O3

4-{[(2-Bromo-2-propen-1-yl)carbamoyl](methyl)amino}butanoic acid

  • Molecular FormulaC9H15BrN2O3
  • Average mass279.131 Da
  • Monoisotopic mass278.026611 Da
  • ChemSpider ID42417204

More details:

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

4-{[(2-Brom-2-propen-1-yl)carbamoyl](methyl)amino}butansäure [German] [ACD/IUPAC Name]
4-{[(2-Bromo-2-propen-1-yl)carbamoyl](methyl)amino}butanoic acid [ACD/IUPAC Name]
Acide 4-{[(2-bromo-2-propén-1-yl)carbamoyl](méthyl)amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[(2-bromo-2-propen-1-yl)amino]carbonyl]methylamino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 486.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 248.2±27.3 °C
Index of Refraction: 1.534
Molar Refractivity: 60.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 25.35
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

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