HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methylindol
1-Methyl-1H-indole · N-METHYLINDOLE · N-Methyindole · 1-METHYLINDOLE (N-) · 1-methyl-1h-indol · 1H-Indole, 1-methyl- · CgHgN · NSC 212534
Identifikatoren & physikalische Daten
| CAS No. | 603-76-9 |
|---|---|
| Summenformel | C9H9N |
| Durchschnittliche Molmasse | 131,17 g/mol |
| Monoisotopische Masse | 131,07349929 g/mol |
| SMILES | Cn1ccc2ccccc21 |
| InChIKey | BLRHMMGNCXNXJL-UHFFFAOYSA-N |
| PubChem CID | 11781 |
| ChEMBL | CHEMBL19912 |
| EC No. | 210-057-5 |
| DTXSID | DTXSID3060534 |
| Lokaler Name | 1-Methylindol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 4,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 122 |
| Schmelzpunkt | 61.2°C (estimate) |
| Siedepunkt | 133 °C26 mm Hg(lit.) |
| Dichte | 1.051 g/mL at 20 °C(lit.) |
| Brechungsindex | n20/D 1.606(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Soluble), DMSO (Slightly)insoluble |
| Aggregatzustand | Liquid, May Develop Some Turbidity or Precipitate |
| Farbe | Colorless to white |
| BRN | 111026 |
| Henry-Konstante | 8.7×100 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| Stabilität | Light sensitive. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3 |
| InChIKey | BLRHMMGNCXNXJL-UHFFFAOYSA-N |
| SMILES | Cn1ccc2ccccc12 |
| LogP (Verteilungskoeffizient) | 2.720 |
| CAS Datenbank | 603-76-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Indole, 1-methyl-(603-76-9) |
| EPA chemische Informationen | 1H-Indole, 1-methyl- (603-76-9) |
Sicherheit & Vorschriften
| F | 13 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Methylindole is useful for the determination of association constant for the electron-donor-acceptor complexes with 1-(2,4,6-trinitrophenyl) propan-2-one. It acts as a reactant for the preparation of polycyclic derivatives of indoles, bisindole derivatives and pharmaceutically active 2-oxo-1-pyrrolidine analogues. It is also used as a reactant for the preparation of Positron Emission Tomography (PET) imaging agents of protein kinase C (PKC) and glycogen synthase kinase-3 (GSK-3).