ChemSpider 2D Image | 5-Benzyl 7a-ethyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate | C18H24N2O4

5-Benzyl 7a-ethyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate

  • Molecular FormulaC18H24N2O4
  • Average mass332.394 Da
  • Monoisotopic mass332.173615 Da
  • ChemSpider ID72382523

More details:

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

1H-Pyrrolo[3,4-c]pyridine-5,7a-dicarboxylic acid, hexahydro-, 7a-ethyl 5-(phenylmethyl) ester [ACD/Index Name]
5-Benzyl 7a-ethyl hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate [ACD/IUPAC Name]
5-Benzyl-7a-ethyl-hexahydro-1H-pyrrolo[3,4-c]pyridin-5,7a-dicarboxylat [German] [ACD/IUPAC Name]
Hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate de 5-benzyle et de 7a-éthyle [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: 455.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.4±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 88.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 68 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 275.0±3.0 cm3

Click to predict properties on the Chemicalize site


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