ChemSpider 2D Image | {[2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}(~2~H_4_)ethyl]oxy}acetic acid | C21H21D4ClN2O3

{[2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}(2H4)ethyl]oxy}acetic acid

  • Molecular FormulaC21H21D4ClN2O3
  • Average mass392.912 Da
  • Monoisotopic mass392.180481 Da
  • ChemSpider ID24533363

  • Non-standard isotope - Non-standard isotope

More details:

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

{[2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}(2H4)ethyl]oxy}acetic acid [ACD/IUPAC Name]
{[2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}(2H4)ethyl]oxy}acetic acid
{[2-{4-[(4-Chlorphenyl)(phenyl)methyl]-1-piperazinyl}(2H4)ethyl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethyl-1,1,2,2-d4]oxy]- [ACD/Index Name]
Acide {[2-{4-[(4-chlorophényl)(phényl)méthyl]-1-pipérazinyl}(2H4)éthyl]oxy}acétique [French] [ACD/IUPAC Name]
(?)-Cetirizine-d4 (ethoxy-d4)
(??)-Cetirizine-d4 Dihydrochloride
(±)-cetirizine-d4 dihydrochloride
[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid
1219803-84-5 [RN]
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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: 542.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 281.6±28.7 °C
    Index of Refraction: 1.589
    Molar Refractivity: 105.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.92
    ACD/LogD (pH 7.4): -0.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 53 Å2
    Polarizability: 42.0±0.5 10-24cm3
    Surface Tension: 50.8±3.0 dyne/cm
    Molar Volume: 314.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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