ChemSpider 2D Image | 3-{[(2E)-3-Bromo-2-propenoyl]amino}alanine | C6H9BrN2O3

3-{[(2E)-3-Bromo-2-propenoyl]amino}alanine

  • Molecular FormulaC6H9BrN2O3
  • Average mass237.051 Da
  • Monoisotopic mass235.979645 Da
  • ChemSpider ID96355928

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{[(2E)-3-Brom-2-propenoyl]amino}alanin [German] [ACD/IUPAC Name]
3-{[(2E)-3-Bromo-2-propenoyl]amino}alanine [ACD/IUPAC Name]
3-{[(2E)-3-Bromo-2-propenoyl]amino}alanine [French] [ACD/IUPAC Name]
Alanine, 3-[[(2E)-3-bromo-1-oxo-2-propen-1-yl]amino]- [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: 462.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.5±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 46.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 139.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement