ChemSpider 2D Image | Ethyl 2-amino-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate | C31H32N2O5

Ethyl 2-amino-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID4070039

More details:

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

Ethyl 2-amino-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate [ACD/IUPAC Name]
Spiro[4H-1-benzopyran-4,1'(2'H)-[4H]pyrrolo[3,2,1-ij]quinoline]-3-carboxylic acid, 2-amino-5,5',6,6',7,8-hexahydro-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-, ethyl ester [ACD/Index Name]
878973-42-3 [RN]
ethyl 2-amino-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-2',4',5,5',6,6',7,8-octahydrospiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 698.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.2±3.0 kJ/mol
    Flash Point: 376.0±31.5 °C
    Index of Refraction: 1.662
    Molar Refractivity: 141.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 5.53
    ACD/LogD (pH 5.5): 4.97
    ACD/BCF (pH 5.5): 3539.52
    ACD/KOC (pH 5.5): 12056.23
    ACD/LogD (pH 7.4): 4.98
    ACD/BCF (pH 7.4): 3559.88
    ACD/KOC (pH 7.4): 12125.57
    Polar Surface Area: 99 Å2
    Polarizability: 56.1±0.5 10-24cm3
    Surface Tension: 63.3±5.0 dyne/cm
    Molar Volume: 382.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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