ChemSpider 2D Image | 3-CHLOROCETIRIZINE | C21H25ClN2O3

3-CHLOROCETIRIZINE

  • Molecular FormulaC21H25ClN2O3
  • Average mass388.888 Da
  • Monoisotopic mass388.155365 Da
  • ChemSpider ID32700194

More details:

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

(2-{4-[(3-Chlorophenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)acetic acid [ACD/IUPAC Name]
(2-{4-[(3-Chlorphenyl)(phenyl)methyl]-1-piperazinyl}ethoxy)essigsäure [German] [ACD/IUPAC Name]
1232460-29-5 [RN]
1232460-31-9 [RN]
2-[2-[4-[(3-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid
3-CHLOROCETIRIZINE
Acetic acid, 2-[2-[4-[(3-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]- [ACD/Index Name]
Acide (2-{4-[(3-chlorophényl)(phényl)méthyl]-1-pipérazinyl}éthoxy)acétique [French] [ACD/IUPAC Name]
2-(2-(4-((3-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetic acid
2-[2-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid
More...

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

1F63N9S45M [DBID]
UNII:1F63N9S45M [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: 535.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.4±3.0 kJ/mol
    Flash Point: 277.4±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


    Advertisement