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Search term: ARFIHETXHFXETN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Benzyl 7a-ethyl (3aS,7aS)-hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate | C18H24N2O4

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

  • Molecular FormulaC18H24N2O4
  • Average mass332.394 Da
  • Monoisotopic mass332.173615 Da
  • ChemSpider ID25027352

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aS)-Hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate de 5-benzyle et de 7a-éthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,4-c]pyridine-5,7a-dicarboxylic acid, hexahydro-, 7a-ethyl 5-(phenylmethyl) ester, (3aS,7aS)- [ACD/Index Name]
5-Benzyl 7a-ethyl (3aS,7aS)-hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate [ACD/IUPAC Name]
5-Benzyl-7a-ethyl-(3aS,7aS)-hexahydro-1H-pyrrolo[3,4-c]pyridin-5,7a-dicarboxylat [German] [ACD/IUPAC Name]
1217975-64-8 [RN]
5-O-benzyl 7a-O-ethyl (3aS,7aS)-2,3,3a,4,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate
MFCD14581077

    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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