ChemSpider 2D Image | Ethyl N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]serinate | C13H16BrNO5

Ethyl N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]serinate

  • Molecular FormulaC13H16BrNO5
  • Average mass346.174 Da
  • Monoisotopic mass345.021179 Da
  • ChemSpider ID24597231

More details:

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

Ethyl N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]serinate [ACD/IUPAC Name]
Ethyl-N-[(6-brom-1,3-benzodioxol-5-yl)methyl]serinat [German] [ACD/IUPAC Name]
N-[(6-Bromo-1,3-benzodioxol-5-yl)méthyl]sérinate d'éthyle [French] [ACD/IUPAC Name]
Serine, N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-, ethyl ester [ACD/Index Name]
ethyl 2-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]amino}-3-hydroxypropanoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 490.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 250.2±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 14.79
ACD/KOC (pH 5.5): 196.85
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.06
ACD/KOC (pH 7.4): 386.83
Polar Surface Area: 77 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 225.8±3.0 cm3

Click to predict properties on the Chemicalize site


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