HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Methyloxindole
1-Methylindolin-2-one · N-METHYLOXINDOLE · N-Methyl-2-indolinone · 1-Methyl-1,3-dihydro-indol-2-one · ba2777 · NSC 97219 · 1-methyl-oxindol · 1-METHYLOXINDOLE
Identifikatoren & physikalische Daten
| CAS No. | 61-70-1 |
|---|---|
| Summenformel | C9H9NO |
| Durchschnittliche Molmasse | 147,17 g/mol |
| Monoisotopische Masse | 147,06841391 g/mol |
| SMILES | CN1C(=O)Cc2ccccc21 |
| InChIKey | RSQUAQMIGSMNNE-UHFFFAOYSA-N |
| PubChem CID | 6096 |
| ChEMBL | CHEMBL41326 |
| EC No. | 612-193-4 |
| DTXSID | DTXSID60209850 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 178 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.25 |
| Schmelzpunkt | 85-88 °C(lit.) |
| Siedepunkt | 110-120 °C(Press: 1 Torr) |
| Dichte | 1.167±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 0.40±0.20(Predicted) |
| Aggregatzustand | solid |
| Farbe | White to pink |
| InChI | 1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3 |
| InChIKey | RSQUAQMIGSMNNE-UHFFFAOYSA-N |
| SMILES | CN1C(=O)Cc2ccccc12 |
| CAS Datenbank | 61-70-1(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 40 reports by companies from 3 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 | 2933790090 |
| RTECS-Nr. | NM2208800 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Methyl-2-oxindole is used in the prevention and therapy of atherosclerotic degradation of arterial walls.