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

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

  • Molecular FormulaC9H15BrN2O3
  • Average mass279.131 Da
  • Monoisotopic mass278.026611 Da
  • ChemSpider ID42417214

More details:

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

2-({[(2-Brom-2-propen-1-yl)carbamoyl]amino}methyl)butansäure [German] [ACD/IUPAC Name]
2-({[(2-Bromo-2-propen-1-yl)carbamoyl]amino}methyl)butanoic acid [ACD/IUPAC Name]
Acide 2-({[(2-bromo-2-propén-1-yl)carbamoyl]amino}méthyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[[(2-bromo-2-propen-1-yl)amino]carbonyl]amino]methyl]- [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: 472.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.5±6.0 kJ/mol
Flash Point: 239.4±27.3 °C
Index of Refraction: 1.526
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.23
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 194.9±3.0 cm3

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