ChemSpider 2D Image | Aripiprazole-d8 (butyl-d8) | C23H19D8Cl2N3O2

Aripiprazole-d8 (butyl-d8)

  • Molecular FormulaC23H19D8Cl2N3O2
  • Average mass456.435 Da
  • Monoisotopic mass455.198242 Da
  • ChemSpider ID23976147

  • Non-standard isotope - Non-standard isotope

More details:

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

Aripiprazole-d8 (butyl-d8)
1089115-04-7 [RN]
2(1H)-Quinolinone, 7-[[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl-1,1,2,2,3,3,4,4-d8]oxy]-3,4-dihydro- [ACD/Index Name]
200-835-2 [EINECS]
7-({4-[4-(2,3-Dichlorophényl)-1-pipérazinyl](2H8)butyl}oxy)-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
7-({4-[4-(2,3-Dichlorophenyl)-1-piperazinyl](2H8)butyl}oxy)-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
7-({4-[4-(2,3-Dichlorophenyl)piperazin-1-yl](2H8)butyl}oxy)-3,4-dihydroquinolin-2(1H)-one
7-({4-[4-(2,3-Dichlorphenyl)-1-piperazinyl](2H8)butyl}oxy)-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
Aripiprazole-d8
MFCD08460937
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 646.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.3±3.0 kJ/mol
    Flash Point: 344.6±31.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 120.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.59
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 104.81
    ACD/KOC (pH 5.5): 317.13
    ACD/LogD (pH 7.4): 4.99
    ACD/BCF (pH 7.4): 3248.12
    ACD/KOC (pH 7.4): 9828.60
    Polar Surface Area: 45 Å2
    Polarizability: 47.7±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 355.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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