ChemSpider 2D Image | tert-butyl 1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,4-c]quinoline-2-carboxylate | C16H22N2O2

tert-butyl 1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,4-c]quinoline-2-carboxylate

  • Molecular FormulaC16H22N2O2
  • Average mass274.358 Da
  • Monoisotopic mass274.168121 Da
  • ChemSpider ID23500751

More details:

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

1,3,3a,4,5,9b-Hexahydro-2H-pyrrolo[3,4-c]quinoléine-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1194375-23-9 [RN]
2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]chinolin-2-carboxylat [German] [ACD/IUPAC Name]
tert-Butyl 1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate
tert-butyl 1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,4-c]quinoline-2-carboxylate
[1194375-23-9] [RN]
1251017-31-8 [RN]
1422344-51-1 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    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

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