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83881-37-2

83881-37-2 Structure

83881-37-2 Structure
IdentificationBack Directory
[Name]

Cetirizine Amide
[CAS]

83881-37-2
[Synonyms]

UCB-L 172
Cetirizine Amide
2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetamide
2-[2-(4-[^a-(4-Chlorophenyl)benzyl]-1-piperazinyl)ethoxy]acetaMide, 97%
2-(2-(4-((4-Chlorophenyl)(phenyl)methyl)-piperazin-1-yl)ethoxy)acetamide
[Molecular Formula]

C21H26ClN3O2
[MDL Number]

MFCD01751128
[MOL File]

83881-37-2.mol
[Molecular Weight]

387.91
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

107-109°C
[Boiling point ]

539.3±50.0 °C(Predicted)
[density ]

1.210±0.06 g/cm3(Predicted)
[storage temp. ]

Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

15.56±0.40(Predicted)
[color ]

White to Pale Brown
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C21H26ClN3O2/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)25-12-10-24(11-13-25)14-15-27-16-20(23)26/h1-9,21H,10-16H2,(H2,23,26)
[InChIKey]

LVJDQBJDVOYDLA-UHFFFAOYSA-N
[SMILES]

Clc1ccc(cc1)C(N3CCN(CC3)CCOCC(=O)N)c2ccccc2
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Cetirizine impurity
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2933599550
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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