ChemSpider 2D Image | Ethyl 5-bromotryptophanate | C13H15BrN2O2

Ethyl 5-bromotryptophanate

  • Molecular FormulaC13H15BrN2O2
  • Average mass311.174 Da
  • Monoisotopic mass310.031677 Da
  • ChemSpider ID24597976

More details:

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

5-Bromotryptophanate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromotryptophanate [ACD/IUPAC Name]
Ethyl-5-bromtryptophanat [German] [ACD/IUPAC Name]
Tryptophan, 5-bromo-, ethyl ester [ACD/Index Name]
(S)-Ethyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate
133766-36-6 [RN]
5-Bromotryptophan ethyl ester
Ethyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate
MFCD09921754

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

Density: 1.5±0.1 g/cm3
Boiling Point: 448.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 224.8±27.3 °C
Index of Refraction: 1.640
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 14.09
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 32.64
ACD/KOC (pH 7.4): 375.28
Polar Surface Area: 68 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 207.9±3.0 cm3

Click to predict properties on the Chemicalize site


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