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Diethyl 2-allyl-2-(2-methylallyl)malonate
Diethyl 2-allyl-2-(2-methylallyl)malonate
Identifikatoren & physikalische Daten
| CAS No. | 5309-50-2 |
|---|---|
| Summenformel | C14H22O4 |
| Durchschnittliche Molmasse | 254,32 g/mol |
| Monoisotopische Masse | 254,15180918 g/mol |
| SMILES | C=CCC(CC(=C)C)(C(=O)OCC)C(=O)OCC |
| InChIKey | SBCXXCUHJQSEFQ-UHFFFAOYSA-N |
| PubChem CID | 251069 |
| DTXSID | DTXSID90967613 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 313 |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, Ethyl Acetate |
| Aggregatzustand | Colourless Liquid |
Anwendungen & Verwendung
Verwenden
Diethyl 2-allyl-2-(2-methylallyl)malonate is anintermediate in the synthesis of 5-Allyl-5-methallyl-barbituric Acid can be used as analyte in analytical study for identification of impurities in bulk butalbital by HPLC using UV detection, MS and NMR characterization.