ChemSpider 2D Image | 5-Hydroxy buspirone | C21H31N5O3

5-Hydroxy buspirone

  • Molecular FormulaC21H31N5O3
  • Average mass401.503 Da
  • Monoisotopic mass401.242676 Da
  • ChemSpider ID29790105

More details:

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

105496-33-1 [RN]
5-Hydroxy buspirone
8-{4-[4-(5-Hydroxy-2-pyrimidinyl)-1-piperazinyl]butyl}-8-azaspiro[4.5]decan-7,9-dion [German] [ACD/IUPAC Name]
8-{4-[4-(5-Hydroxy-2-pyrimidinyl)-1-piperazinyl]butyl}-8-azaspiro[4.5]decane-7,9-dione [ACD/IUPAC Name]
8-{4-[4-(5-Hydroxy-2-pyrimidinyl)-1-pipérazinyl]butyl}-8-azaspiro[4.5]décane-7,9-dione [French] [ACD/IUPAC Name]
8-Azaspiro[4.5]decane-7,9-dione, 8-[4-[4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl]butyl]- [ACD/Index Name]
1330164-16-3 [RN]
5-Hydroxy Buspirone-d8
5-Hydroxybuspirone
8-[4-[4-(5-Hydroxy-2-pyrimidinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane-7,9-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 660.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 353.2±34.3 °C
    Index of Refraction: 1.622
    Molar Refractivity: 108.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.75
    ACD/LogD (pH 5.5): 1.14
    ACD/BCF (pH 5.5): 1.75
    ACD/KOC (pH 5.5): 17.75
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 38.77
    ACD/KOC (pH 7.4): 392.80
    Polar Surface Area: 90 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 69.6±5.0 dyne/cm
    Molar Volume: 307.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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