HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 2-acetamidoacrylate
Methyl 2-(acetylamino)acrylate · methyl 2-acetamidoprop-2-enoate · ac-dl-dha-ome · METHYL 2-ACETAMIDOACRYLATE · 2-Acetamidomethyl acrylate · Methyl 2-acetamidoacrylate 98% · Methyl 2-Acetamidoacrylate >Methyl 2-acetamidoacrylate-99% · Methyl 2-(acetylamino)propenoate
Identifikatoren & physikalische Daten
| CAS No. | 35356-70-8 |
|---|---|
| Summenformel | C6H9NO3 |
| Durchschnittliche Molmasse | 143,14 g/mol |
| Monoisotopische Masse | 143,05824315 g/mol |
| SMILES | C=C(NC(C)=O)C(=O)OC |
| InChIKey | SMWNFFKPVLVOQQ-UHFFFAOYSA-N |
| PubChem CID | 98644 |
| ChEMBL | CHEMBL4868054 |
| EC No. | 609-121-9 |
| DTXSID | DTXSID70188849 |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 174 |
| Schmelzpunkt | 50-52 °C (lit.) |
| Siedepunkt | 104 °C/8 mmHg (lit.) |
| Dichte | 1.3075 (rough estimate) |
| Brechungsindex | 1.4340 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.12±0.46(Predicted) |
| Farbe | Off-White |
| BRN | 1812208 |
| InChI | InChI=1S/C6H9NO3/c1-4(6(9)10-3)7-5(2)8/h1H2,2-3H3,(H,7,8) |
| InChIKey | SMWNFFKPVLVOQQ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(NC(C)=O)=C |
| CAS Datenbank | 35356-70-8(CAS DataBase Reference) |
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 46 reports by companies from 6 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 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Methyl 2-acetamidoacrylate exhibits anti-inflammatory property and decreases induced acute kidney injury in mice.