ChemSpider 2D Image | Methyl N-acetyl-6-chlorotryptophanate | C14H15ClN2O3

Methyl N-acetyl-6-chlorotryptophanate

  • Molecular FormulaC14H15ClN2O3
  • Average mass294.733 Da
  • Monoisotopic mass294.077118 Da
  • ChemSpider ID68023865

More details:

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

Methyl N-acetyl-6-chlorotryptophanate [ACD/IUPAC Name]
Methyl-N-acetyl-6-chlortryptophanat [German] [ACD/IUPAC Name]
N-Acétyl-6-chlorotryptophanate de méthyle [French] [ACD/IUPAC Name]
Tryptophan, N-acetyl-6-chloro-, methyl ester [ACD/Index Name]
(R)-N-Acetyl-6-Chloro-Trp-OMe
MFCD12198867 [MDL number]
tert-Butyl 2-(pyridin-3-ylamino)acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 538.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.4±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.87
ACD/KOC (pH 5.5): 263.04
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.87
ACD/KOC (pH 7.4): 263.04
Polar Surface Area: 71 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 222.5±3.0 cm3

Click to predict properties on the Chemicalize site


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