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Ethylacetamidocyanacetat
Ethyl 2-acetamido-2-cyanoacetate · Ac-Gly(2-CN)-OEt · ETHYL ACETAMIDOCYANOACETATE · Ethyl acetaminocyanoacetate · Ethyl N-Acetyl-2-Cyanoglcine · Ethylacetamidocyanoacetate,98% · EthylN-acetyl-2-cyanoglycinate · Ethyl acetamidocyanoacetate 97%
Identifikatoren & physikalische Daten
| CAS No. | 4977-62-2 |
|---|---|
| Summenformel | C7H10N2O3 |
| Durchschnittliche Molmasse | 170,17 g/mol |
| Monoisotopische Masse | 170,06914218 g/mol |
| SMILES | CCOC(=O)C(C#N)NC(C)=O |
| InChIKey | SLIRLABNGAZSHX-UHFFFAOYSA-N |
| PubChem CID | 95422 |
| EC No. | 225-624-2 |
| DTXSID | DTXSID501292093 |
| Lokaler Name | Ethylacetamidocyanacetat |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 79,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 228 |
| Schmelzpunkt | 125-130 °C(lit.) |
| Siedepunkt | 347.5±27.0 °C(Predicted) |
| Dichte | 1.155±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 15.93±0.46(Predicted) |
| Aggregatzustand | powder |
| Farbe | white to off-white |
| BRN | 879845 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C7H10N2O3/c1-3-12-7(11)6(4-8)9-5(2)10/h6H,3H2,1-2H3,(H,9,10) |
| InChIKey | SLIRLABNGAZSHX-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(NC(C)=O)C#N |
| CAS Datenbank | 4977-62-2(CAS DataBase Reference) |
| NIST chemische Informationen | Glycine, n-acetyl-2-cyano-, ethyl ester(4977-62-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Ethyl acetamidocyanoacetate: Does not have an individual approval but may be used under an appropriate group standard |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Synthesis of amino acids and related compounds.