1232460-31-9

Name Cetirizine 3-Chloro Impurity
CAS 1232460-31-9
Molecular Formula C21H25ClN2O3
Molecular Weight 388.89
MOL File 1232460-31-9.mol
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Chemical Properties

Boiling point  535.1±45.0 °C(Predicted)
density  1.237±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
pka 3.46±0.10(Predicted)
InChI InChI=1S/C21H25ClN2O3/c22-19-8-4-7-18(15-19)21(17-5-2-1-3-6-17)24-11-9-23(10-12-24)13-14-27-16-20(25)26/h1-8,15,21H,9-14,16H2,(H,25,26)
InChIKey KIDBOSZFDKRHNX-UHFFFAOYSA-N
SMILES C(C1C=CC=CC=1)(N1CCN(CCOCC(=O)O)CC1)C1C=CC=C(Cl)C=1

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