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Ethyl-N-acetylglycinat
AC-GLY-OET · Glycine, N-acetyl-, ethyl ester · Ethyl acetylglycinate · N-Ac-Gly-OEt · Ac-Gly-Oet-OH · Ethyl Acetamideacetate · ETHYL ACETAMIDOACETATE · ETHYL ACETAMINOACETATE
Identifikatoren & physikalische Daten
| CAS No. | 1906-82-7 |
|---|---|
| Summenformel | C6H11NO3 |
| Durchschnittliche Molmasse | 145,16 g/mol |
| Monoisotopische Masse | 145,07389321 g/mol |
| SMILES | CCOC(=O)CNC(C)=O |
| InChIKey | AMBDTBHJFINMSE-UHFFFAOYSA-N |
| PubChem CID | 74702 |
| ChEMBL | CHEMBL3278870 |
| EC No. | 217-608-9 |
| DTXSID | DTXSID30172542 |
| Lokaler Name | Ethyl-N-acetylglycinat |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 43-46 °C(lit.) |
| Siedepunkt | 260 °C712 mm Hg(lit.) |
| Dichte | 1.2511 (rough estimate) |
| Brechungsindex | 1.4300 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| pKa (Säurekonstante) | 14.75±0.46(Predicted) |
| Aggregatzustand | powder to lump |
| Farbe | White to Almost white |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C6H11NO3/c1-3-10-6(9)4-7-5(2)8/h3-4H2,1-2H3,(H,7,8) |
| InChIKey | AMBDTBHJFINMSE-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)CNC(C)=O |
| CAS Datenbank | 1906-82-7(CAS DataBase Reference) |
| NIST chemische Informationen | Glycine, N-acetyl-, ethyl ester(1906-82-7) |
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 2 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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29241990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl Acetamidoacetate is used in biological studies as pre-fermentative replacement of SO2 by lysozyme and oenological tannins effects on flavor volatiles during the bottled storage of white wines.