HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Methoxyacetanilid
N-(4-METHOXYPHENYL)ACETAMIDE · p-acetaniside · 4-Methoxy acetanlide · Metacetin · METHACETIN · acetaniside · 4-Acetaniside · AURORA KA-3672
Identifikatoren & physikalische Daten
| CAS No. | 51-66-1 |
|---|---|
| Summenformel | C9H11NO2 |
| Durchschnittliche Molmasse | 165,19 g/mol |
| Monoisotopische Masse | 165,07897859 g/mol |
| SMILES | COc1ccc(NC(C)=O)cc1 |
| InChIKey | XVAIDCNLVLTVFM-UHFFFAOYSA-N |
| PubChem CID | 5827 |
| ChEMBL | CHEMBL3183230 |
| ChEBI | CHEBI:139354 |
| EC No. | 200-114-2 |
| DTXSID | DTXSID6026325 |
| Lokaler Name | 4'-Methoxyacetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 151 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 128-130 °C(lit.) |
| Siedepunkt | 293.03°C (rough estimate) |
| Dichte | 1.1603 (rough estimate) |
| Brechungsindex | 1.5839 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)0.42 g/100 mL (20 ºC) |
| Aggregatzustand | Crystalline |
| pKa (Säurekonstante) | 14.53±0.70(Predicted) |
| Farbe | White |
| Merck | 14,51 |
| BRN | 387887 |
| Stabilität | Hygroscopic |
| CAS Datenbank | 51-66-1(CAS DataBase Reference) |
| NIST chemische Informationen | N-(4-Methoxyphenyl)acetic acid amide(51-66-1) |
| EPA chemische Informationen | Acetamide, N-(4-methoxyphenyl)- (51-66-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| RTECS-Nr. | AE8290000 |
| R-Sätze (R) | 22-36/38 |
| Toxizität | LD50 orl-mus: 1190 mg/kg TXAPA9 19,20,71 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36-37/39-26 |
Anwendungen & Verwendung
Verwenden
Methacetin is evaluated in a breath test to predict early liver disfunction due to valproic acid and other cause. Methacetin breath test (MBT) is a rapid, non-invasive assessment of liver function in acute severe liver disease and a potential key tool in future dignosis.