HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Acetamidoacrylsure
NSC 14171 · Ac-DL-Dha-OH · 2-AcetamidoacryL · AC-DEHYDRO-ALA-OH · 2-Acetamidoacrylsure · ACETYL-DEHYDROALANINE · 2-Acetamidoacrylicaci · N-ACETYLDEHYDROALANINE
Identifikatoren & physikalische Daten
| CAS No. | 5429-56-1 |
|---|---|
| Summenformel | C5H7NO3 |
| Durchschnittliche Molmasse | 129,11 g/mol |
| Monoisotopische Masse | 129,04259308 g/mol |
| SMILES | C=C(NC(C)=O)C(=O)O |
| InChIKey | UFDFFEMHDKXMBG-UHFFFAOYSA-N |
| PubChem CID | 79482 |
| EC No. | 226-583-3 |
| DTXSID | DTXSID40202647 |
| Lokaler Name | 2-Acetamidoacrylsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 162 |
| Schmelzpunkt | 185-186 °C (dec.) (lit.) |
| Siedepunkt | 239.15°C (rough estimate) |
| Dichte | 1.3816 (rough estimate) |
| Brechungsindex | 1.4220 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)hardly soluble |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.53±0.11(Predicted) |
| Farbe | Off-White to Pale Grey |
| BRN | 1812032 |
| InChI | InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9) |
| InChIKey | UFDFFEMHDKXMBG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(NC(C)=O)=C |
| CAS Datenbank | 5429-56-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propenoic acid, 2-(acetylamino)-(5429-56-1) |
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 45 reports by companies from 5 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 | 29241900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Acetamidoacrylic acid is used as an antioxidant as well as a monomer.