Acetic acid, (2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)-, dihydrochloride

Base Information

• Chemical Name: Acetic acid, (2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)-, dihydrochloride
• CAS No.: 83881-56-5
• Molecular Formula: C23H31Cl3N2O4
• Molecular Weight: 505.8622
• DSSTox Substance ID: DTXSID501004016
• Mol file: 83881-56-5.mol

Synonyms:83881-56-5;Acetic acid, (2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)-, dihydrochloride;Hydroxyzine Acetic Acid Dihydrochloride;2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]acetic acid;dihydrochloride;Ethoxycetirizine Dihydrochloride;C23H29ClN2O4.2ClH;C23-H29-Cl-N2-O4.2Cl-H;(RS)-2-[2-[2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]-acetic Acid Dihydrochloride (Ethoxycetirizine Dihydrochloride);SCHEMBL10930690;DTXSID501004016;[2-(2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethoxy]acetic acid--hydrogen chloride (1/2)

Chemical Property of Acetic acid, (2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)-, dihydrochloride

Chemical Property:

• Vapor Pressure: 3.25E-14mmHg at 25°C
• Melting Point: >130°C (dec.)
• Boiling Point: 578.3°C at 760 mmHg
• Flash Point: 303.5°C
• PSA: 62.24000
• LogP: 4.64460
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 504.134941
• Heavy Atom Count: 32
• Complexity: 488

Purity/Quality:

99% ^*data from raw suppliers

HydroxyzineAceticAcidDihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CCOCCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
• Uses: Cetirizine (C281100) impurity. The compound has in particular an antiallergic, spasmolytic and antihistaminic activity.