ChemSpider 2D Image | Methyl N-(2-bromo-2-propen-1-yl)-2-methylalaninate | C8H14BrNO2

Methyl N-(2-bromo-2-propen-1-yl)-2-methylalaninate

  • Molecular FormulaC8H14BrNO2
  • Average mass236.106 Da
  • Monoisotopic mass235.020782 Da
  • ChemSpider ID30181393

More details:






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

Alanine, N-(2-bromo-2-propen-1-yl)-2-methyl-, methyl ester [ACD/Index Name]
Methyl N-(2-bromo-2-propen-1-yl)-2-methylalaninate [ACD/IUPAC Name]
Methyl-N-(2-brom-2-propen-1-yl)-2-methylalaninat [German] [ACD/IUPAC Name]
N-(2-Bromo-2-propén-1-yl)-2-méthylalaninate de méthyle [French] [ACD/IUPAC Name]
1355717-83-7 [RN]
METHYL 2-[(2-BROMOPROP-2-EN-1-YL)AMINO]-2-METHYLPROPANOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 253.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 107.0±24.6 °C
Index of Refraction: 1.484
Molar Refractivity: 51.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 4.77
ACD/KOC (pH 5.5): 60.02
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.09
ACD/KOC (pH 7.4): 416.55
Polar Surface Area: 38 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 181.0±3.0 cm3

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