tert-Butyl Cetirizine

Base Information

• Chemical Name: tert-Butyl Cetirizine
• CAS No.: 335017-46-4
• Molecular Formula: C25H33ClN2O3
• Molecular Weight: 444.99
• DSSTox Substance ID: DTXSID60432727
• Mol file: 335017-46-4.mol

Synonyms:tert-Butyl Cetirizine;335017-46-4;tert-ButylCetirizine-d8;tert-Butyl(S)-Cetirizine;tert-butyl 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetate;SCHEMBL5695802;DTXSID60432727;CRBIKYGPQWQMAG-UHFFFAOYSA-N;[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetic Acid 1,1-Dimethylethyl Ester;FT-0663995;J-019216;tert-butyl (RS) 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate

Chemical Property of tert-Butyl Cetirizine

Chemical Property:

• Appearance/Colour: Light-Yellow Oil
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 533.823 °C at 760 mmHg
• Flash Point: 276.646 °C
• PSA: 42.01000
• Density: 1.143 g/cm³
• LogP: 4.28110
• Solubility.: Dichloromethane, Ethyl Acetate
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 444.2179706
• Heavy Atom Count: 31
• Complexity: 531

Purity/Quality:

99% ^*data from raw suppliers

tert-ButylCetirizine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
• Uses: Certirizine derivative