ChemSpider 2D Image | Methyl N-(ethoxycarbonyl)-1-methylhistidinate | C11H17N3O4

Methyl N-(ethoxycarbonyl)-1-methylhistidinate

  • Molecular FormulaC11H17N3O4
  • Average mass255.270 Da
  • Monoisotopic mass255.121902 Da
  • ChemSpider ID26337220

More details:

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

Histidine, N-(ethoxycarbonyl)-1-methyl-, methyl ester [ACD/Index Name]
Methyl N-(ethoxycarbonyl)-1-methylhistidinate [ACD/IUPAC Name]
Methyl-N-(ethoxycarbonyl)-1-methylhistidinat [German] [ACD/IUPAC Name]
N-(Éthoxycarbonyl)-1-méthylhistidinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.4±27.3 °C
Index of Refraction: 1.539
Molar Refractivity: 64.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.79
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 35.41
Polar Surface Area: 82 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 206.4±7.0 cm3

Click to predict properties on the Chemicalize site


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