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Diethyl-[[(6-methyl-2-pyridyl)amino]methylen]malonat
Diethyl {[(6-methylpyridin-2-yl)-amino]methylene}malonate · DIETHYL 2-(((6-METHYL-2-PYRIDINYL)AMINO)METHYLENE)MALONATE · diethyl 2-(((6-methylpyridin-2-yl)amino)methylene)malonate · Diethyl{[(6-methyl-2-pyridinyl)amino]methylene}propanedioate · diethyl 2-[[(6-methyl-2-pyridyl)amino]methylene]propanedioate · diethyl 2-[[(6-methylpyridin-2-yl)amino]methylidene]propanedioate · 2-[[(6-methyl-2-pyridyl)amino]methylene]malonic acid diethyl ester · 2-[(6-Methyl-pyridin-2-ylamino)-methylene]-malonic acid diethyl ester
![Molekülstruktur von Diethyl-[[(6-methyl-2-pyridyl)amino]methylen]malonat](/img/chemical/83264.png)
Identifikatoren & physikalische Daten
| CAS No. | 13250-95-8 |
|---|---|
| Summenformel | C14H18N2O4 |
| Durchschnittliche Molmasse | 278,3 g/mol |
| Monoisotopische Masse | 278,12665706 g/mol |
| SMILES | CCOC(=O)C(=CNc1cccc(C)n1)C(=O)OCC |
| InChIKey | IAXFBMUDERBERN-UHFFFAOYSA-N |
| PubChem CID | 83264 |
| ChEMBL | CHEMBL3212039 |
| EC No. | 236-233-1 |
| DTXSID | DTXSID00157604 |
| Lokaler Name | Diethyl-[[(6-methyl-2-pyridyl)amino]methylen]malonat |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 348 |
| Schmelzpunkt | 105.5-105.7 °C |
| Siedepunkt | 357.0±42.0 °C(Predicted) |
| Dichte | 1.187±0.06 g/cm3(Predicted) |
| Löslichkeit | soluble in Chloroform |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.11±0.10(Predicted) |
| Farbe | Pale Yellow to Pale Beige |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
Diethyl (6-methyl-2-pyridylaminomethylene)malonate is a useful reagent for pharmaceutical synthesis. It is used in the preparation of substituted quinoline carboxyguanidines which functions as an antidiabetic agents.