ChemSpider 2D Image | Cetirizine D8 | C21H17D8ClN2O3

Cetirizine D8

  • Molecular FormulaC21H17D8ClN2O3
  • Average mass396.937 Da
  • Monoisotopic mass396.205597 Da
  • ChemSpider ID76827124

  • 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](2-2H1)-1-piperazinyl}(2H4)ethyl]oxy}(2H3)acetic acid [ACD/IUPAC Name]
{[2-{4-[(4-Chlorphenyl)(phenyl)methyl](2-2H1)-1-piperazinyl}(2H4)ethyl]oxy}(2H3)essigsäure [German] [ACD/IUPAC Name]
774596-22-4 [RN]
Acetic-2,2-d2 acid-d, 2-[[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl-2-d]ethyl-1,1,2,2-d4]oxy]- [ACD/Index Name]
Acide {[2-{4-[(4-chlorophényl)(phényl)méthyl](2-2H1)-1-pipérazinyl}(2H4)éthyl]oxy}(2H3)acétique [French] [ACD/IUPAC Name]
Cetirizine D8

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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