ChemSpider 2D Image | N-[(2-Bromo-2-propen-1-yl)carbamoyl]isovaline | C9H15BrN2O3

N-[(2-Bromo-2-propen-1-yl)carbamoyl]isovaline

  • Molecular FormulaC9H15BrN2O3
  • Average mass279.131 Da
  • Monoisotopic mass278.026611 Da
  • ChemSpider ID42417314

More details:

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

Isovaline, N-[[(2-bromo-2-propen-1-yl)amino]carbonyl]- [ACD/Index Name]
N-[(2-Brom-2-propen-1-yl)carbamoyl]isovalin [German] [ACD/IUPAC Name]
N-[(2-Bromo-2-propen-1-yl)carbamoyl]isovaline [ACD/IUPAC Name]
N-[(2-Bromo-2-propén-1-yl)carbamoyl]isovaline [French] [ACD/IUPAC 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: 458.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.8±6.0 kJ/mol
Flash Point: 231.2±27.3 °C
Index of Refraction: 1.527
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): -1.88
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: 45.5±3.0 dyne/cm
Molar Volume: 194.6±3.0 cm3

Click to predict properties on the Chemicalize site


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