ChemSpider 2D Image | Ethyl 3-amino-2-hydroxy-2,5-dimethyl-2H-pyrrole-4-carboxylate | C9H14N2O3

Ethyl 3-amino-2-hydroxy-2,5-dimethyl-2H-pyrrole-4-carboxylate

  • Molecular FormulaC9H14N2O3
  • Average mass198.219 Da
  • Monoisotopic mass198.100449 Da
  • ChemSpider ID24197675

More details:






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

2H-Pyrrole-4-carboxylic acid, 3-amino-2-hydroxy-2,5-dimethyl-, ethyl ester [ACD/Index Name]
3-Amino-2-hydroxy-2,5-diméthyl-2H-pyrrole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-amino-2-hydroxy-2,5-dimethyl-2H-pyrrole-4-carboxylate [ACD/IUPAC Name]
Ethyl-3-amino-2-hydroxy-2,5-dimethyl-2H-pyrrol-4-carboxylat [German] [ACD/IUPAC Name]
113968-03-9 [RN]
2H-Pyrrole-4-carboxylicacid,3-amino-2-hydroxy-2,5-dimethyl-,ethylester
MFCD20700822

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

Density: 1.3±0.1 g/cm3
Boiling Point: 331.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.6±6.0 kJ/mol
Flash Point: 154.5±27.9 °C
Index of Refraction: 1.555
Molar Refractivity: 49.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.87
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.86
Polar Surface Area: 85 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 154.3±7.0 cm3

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