Diethyl 2-(4-chlorobutyl)malonate

Base Information

• Chemical Name: Diethyl 2-(4-chlorobutyl)malonate
• CAS No.: 18719-44-3
• Molecular Formula: C11H19ClO4
• Molecular Weight: 250.722
• DSSTox Substance ID: DTXSID10694959
• Nikkaji Number: J2.259.385D
• Wikidata: Q82623918

Synonyms:diethyl 2-(4-chlorobutyl)malonate;18719-44-3;diethyl 2-(4-chlorobutyl)propanedioate;Propanedioic acid, (4-chlorobutyl)-, diethyl ester;SCHEMBL14580010;DTXSID10694959;LULFMPCFMFPELT-UHFFFAOYSA-N;Diethyl (4-chlorobutyl)propanedioate;DIETHYL (4-CHLOROBUTYL)MALONATE;2-(4-Chlorobutyl)malonic acid diethyl ester;1,3-DIETHYL 2-(4-CHLOROBUTYL)PROPANEDIOATE

Chemical Property of Diethyl 2-(4-chlorobutyl)malonate

Chemical Property:

• PSA: 52.60000
• LogP: 2.13790
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 250.0971868
• Heavy Atom Count: 16
• Complexity: 200

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCCCCl)C(=O)OCC
• Uses: Diethyl 2-(4-Chlorobutyl)malonate it''s structure activity studies on 1,3-Dioxane-2-carboxylic Acid derivitives, a class of subtype-selective Peroxisome Proliferator-Activated Receptor α (PPARα) agonists.

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