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Search term: PYRPHEQXDLNURT (Found by InChIKey (skeleton match))

ChemSpider 2D Image | tert-butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate | C18H26N2O2

tert-butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

  • Molecular FormulaC18H26N2O2
  • Average mass302.411 Da
  • Monoisotopic mass302.199432 Da
  • ChemSpider ID23346869

More details:






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

1H-Spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylat [German] [ACD/IUPAC Name]
857898-70-5 [RN]
Spiro[isoquinoline-4(1H),4'-piperidine]-2(3H)-carboxylic acid, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate
[857898-70-5] [RN]
2(3H)-N-Boc-1H-spiro[isoquinoline-4,4'-piperidine]
Chemistry 6768
GSK126
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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: 428.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.7±28.7 °C
    Index of Refraction: 1.571
    Molar Refractivity: 87.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.38
    ACD/LogD (pH 7.4): 0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.55
    Polar Surface Area: 42 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 46.4±5.0 dyne/cm
    Molar Volume: 266.8±5.0 cm3

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