ChemSpider 2D Image | 2'-sec-Butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid | C19H25NO3

2'-sec-Butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid

  • Molecular FormulaC19H25NO3
  • Average mass315.407 Da
  • Monoisotopic mass315.183441 Da
  • ChemSpider ID29248542

More details:

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

1269525-47-4 [RN]
2'-sec-Butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carbonsäure [German] [ACD/IUPAC Name]
2'-sec-Butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid [ACD/IUPAC Name]
Acide 2'-sec-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylique [French] [ACD/IUPAC Name]
Spiro[cyclohexane-1,3'(2'H)-isoquinoline]-4'-carboxylic acid, 1',4'-dihydro-2'-(1-methylpropyl)-1'-oxo- [ACD/Index Name]
1-oxo-2-sec-butyl-spiro[4h-isoquinoline-3,1-cyclohexane]-4-carboxylic acid
1-oxo-2-sec-butyl-spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxylic acid
2'-(butan-2-yl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
2-(butan-2-yl)-1-oxo-2,4-dihydro-1h-spiro[cyclohexane-1,3-isoquinoline]-4-carboxylic acid
2'-(butan-2-yl)-1'-oxo-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-4'-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 502.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 257.8±30.1 °C
    Index of Refraction: 1.584
    Molar Refractivity: 88.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 2.28
    ACD/BCF (pH 5.5): 14.15
    ACD/KOC (pH 5.5): 88.74
    ACD/LogD (pH 7.4): 0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.61
    Polar Surface Area: 58 Å2
    Polarizability: 35.1±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 264.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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