HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-Methylacridin
Acridine, 9-methyl- · NSC 1234 · 9-Methylacridin · 9-Methylakridin · 9-METHYLACRIDINE · 9-methyl-acridin · 5-Methylacridine · 9-methylacrydine
Identifikatoren & physikalische Daten
| CAS No. | 611-64-3 |
|---|---|
| Summenformel | C14H11N |
| Durchschnittliche Molmasse | 193,24 g/mol |
| Monoisotopische Masse | 193,08914936 g/mol |
| SMILES | Cc1c2ccccc2nc2ccccc12 |
| InChIKey | FLDRLXJNISEWNZ-UHFFFAOYSA-N |
| PubChem CID | 11913 |
| ChEMBL | CHEMBL1883643 |
| EC No. | 210-272-4 |
| DTXSID | DTXSID60862287 |
| Lokaler Name | 9-Methylacridin |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 203 |
| Löslichkeit | 7.9 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightly), Methanol (Slightly) |
| Schmelzpunkt | 114-119 °C |
| Siedepunkt | 319.47°C (rough estimate) |
| Dichte | 1.1061 (rough estimate) |
| Brechungsindex | 1.5850 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 6.68±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3 |
| InChIKey | FLDRLXJNISEWNZ-UHFFFAOYSA-N |
| SMILES | C1C2C(=NC3C(C=2C)=CC=CC=3)C=CC=1 |
| CAS Datenbank | 611-64-3 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.8%): 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29339900 |
| RTECS-Nr. | AR9440000 |
| R-Sätze (R) | 68-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 45-36/37/39-26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
9-Methylacridine is an derivative of Acridine (A190900), a quinoline derivative used as manufacturing dyes and as an intermediate for the synthesis of antileishmanial agents.