ChemSpider 2D Image | 2-CHLOROCETIRIZINE | C21H25ClN2O3

2-CHLOROCETIRIZINE

  • Molecular FormulaC21H25ClN2O3
  • Average mass388.888 Da
  • Monoisotopic mass388.155365 Da
  • ChemSpider ID32702366

More details:

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

(2-{4-[(2-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid [ACD/IUPAC Name]
(2-{4-[(2-Chlorphenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)essigsäure [German] [ACD/IUPAC Name]
2-CHLOROCETIRIZINE
83881-59-8 [RN]
Acetic acid, 2-[2-[4-[(2-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]- [ACD/Index Name]
Acide (2-{4-[(2-chlorophényl)(phényl)méthyl]-1-pipérazinyl}éthoxy)acétique [French] [ACD/IUPAC Name]
(RS)-2-[2-[4-[(2-Chloro-phenyl)phenylMethyl]piperazin-1-yl]ethoxy]aceticAcidDihydrochloride
2-(2-(4-((2-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid
2-(2-{4-[(2-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
2-[2-[4-[(2-chlorophenyl)phenylmethyl]-1-piperazin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4DG59P89YF [DBID]
UNII:4DG59P89YF [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 536.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.6±3.0 kJ/mol
    Flash Point: 278.1±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): 0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.93
    ACD/LogD (pH 7.4): -0.57
    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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