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N-(2,6-Dimethylphenyl)acetamid
Lidocaine EP Impurity C · NSC 54130 · 2,6-Acetoxylide · 2’,6’-Acetoxylidid · LIDOCAINE EP IMP C · 2',6'-ACETOXYLIDIDE · TIMTEC-BB SBB008144 · Lidocaine Impurity 7
Identifikatoren & physikalische Daten
| CAS No. | 2198-53-0 |
|---|---|
| Summenformel | C10H13NO |
| Durchschnittliche Molmasse | 163,22 g/mol |
| Monoisotopische Masse | 163,09971404 g/mol |
| SMILES | CC(=O)Nc1c(C)cccc1C |
| InChIKey | NRPTXWYBRKRZES-UHFFFAOYSA-N |
| PubChem CID | 16616 |
| EC No. | 218-596-8 |
| DTXSID | DTXSID2062244 |
| Lokaler Name | N-(2,6-Dimethylphenyl)acetamid |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 157 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 182-184 °C(lit.) |
| Siedepunkt | 290.31°C (rough estimate) |
| Dichte | 1.052 |
| Brechungsindex | 1.5400 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 15.14±0.70(Predicted) |
| Farbe | Crystals |
| InChI | 1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12) |
| InChIKey | NRPTXWYBRKRZES-UHFFFAOYSA-N |
| SMILES | CC(=O)Nc1c(C)cccc1C |
| CAS Datenbank | 2198-53-0(CAS DataBase Reference) |
| EPA chemische Informationen | Acetamide, N-(2,6-dimethylphenyl)- (2198-53-0) |
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, P317, 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 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 | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| RTECS-Nr. | AN7470000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Toxizität | LD50 orl-mus: 620 mg/kg TXAPA9 19,20,71 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Lidocaine (L397800) impurity.