ChemSpider 2D Image | tert-butyl 4-benzyl-octahydropyrrolo[3,4-b]morpholine-6-carboxylate | C18H26N2O3

tert-butyl 4-benzyl-octahydropyrrolo[3,4-b]morpholine-6-carboxylate

  • Molecular FormulaC18H26N2O3
  • Average mass318.411 Da
  • Monoisotopic mass318.194336 Da
  • ChemSpider ID13778605

More details:

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

1358783-18-2 [RN]
2-Methyl-2-propanyl 4-benzylhexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-benzylhexahydropyrrolo[3,4-b][1,4]oxazin-6(2H)-carboxylat [German] [ACD/IUPAC Name]
4-Benzylhexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pyrrolo[3,4-b]-1,4-oxazine-6(2H)-carboxylic acid, hexahydro-4-(phenylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 4-benzyl-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
138026-92-3 [RN]
138027-01-7 [RN]
Chemistry 20090
Hexahydro-4-(phenylmethyl)-pyrrolo[3,4-b]-1,4-oxazine-6(2H)-carboxylic acid 1,1-dimethylethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 416.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 205.4±28.7 °C
    Index of Refraction: 1.546
    Molar Refractivity: 88.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): 1.43
    ACD/BCF (pH 5.5): 3.62
    ACD/KOC (pH 5.5): 38.93
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 51.78
    ACD/KOC (pH 7.4): 556.40
    Polar Surface Area: 42 Å2
    Polarizability: 35.1±0.5 10-24cm3
    Surface Tension: 43.2±3.0 dyne/cm
    Molar Volume: 279.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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