ChemSpider 2D Image | MFCD23378317 | C16H22N2O2

MFCD23378317

  • Molecular FormulaC16H22N2O2
  • Average mass274.358 Da
  • Monoisotopic mass274.168121 Da
  • ChemSpider ID48064127

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,9bR)-1,3,3a,4,5,9b-Hexahydro-2H-pyrrolo[3,4-c]quinoléine-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(3as,9br)-tert-butyl 3,3a,4,5-tetrahydro-1h-pyrrolo[3,4-c]quinoline-2(9bh)-carboxylate
2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester, (3aS,9bR)- [ACD/Index Name]
2-Methyl-2-propanyl (3aS,9bR)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aS,9bR)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]chinolin-2-carboxylat [German] [ACD/IUPAC Name]
MFCD23378317
tert-Butyl (3aS,9bR)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate
1422344-51-1 [RN]
cis-t-Butyl 3,3a,4,5-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2(9bH)-carboxylate
cis-tert-Butyl 3,3a,4,5-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2(9bH)-carboxylate
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 392.7±41.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 191.3±27.6 °C
    Index of Refraction: 1.545
    Molar Refractivity: 77.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 146.66
    ACD/KOC (pH 5.5): 1212.76
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 156.97
    ACD/KOC (pH 7.4): 1297.98
    Polar Surface Area: 42 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 40.1±3.0 dyne/cm
    Molar Volume: 244.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement