HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-2-methylpyridine
6-Methylpyridin-3-amine · 5-AMINO-2-PICOLINE · 3-AMINO-6-METHYLPYRIDINE · 6-METHYL-PYRIDIN-3-YLAMINE · AURORA KA-7923 · 5-Aminopicoline · 3-AMINO-6-PICOLINE · 5-Amino-2-methylpyri
Identifikatoren & physikalische Daten
| CAS No. | 3430-14-6 |
|---|---|
| Summenformel | C6H8N2 |
| Durchschnittliche Molmasse | 108,14 g/mol |
| Monoisotopische Masse | 108,06874826 g/mol |
| SMILES | Cc1ccc(N)cn1 |
| InChIKey | UENBBJXGCWILBM-UHFFFAOYSA-N |
| PubChem CID | 243313 |
| EC No. | 625-232-5 |
| DTXSID | DTXSID00287854 |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,9 |
| Schmelzpunkt | 95-99°C |
| Siedepunkt | 238.4±20.0 °C(Predicted) |
| Dichte | 1.068±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 6.89±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Off-white to orange to brown |
| InChI | InChI=1S/C6H8N2/c1-5-2-3-6(7)4-8-5/h2-4H,7H2,1H3 |
| InChIKey | UENBBJXGCWILBM-UHFFFAOYSA-N |
| SMILES | C1=NC(C)=CC=C1N |
| LogP (Verteilungskoeffizient) | 0.704 |
| CAS Datenbank | 3430-14-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 07-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29319 |
| Hazard Classes and Categories | Acute Tox. 3 (12.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29333999 |
| R-Sätze (R) | 22-37/38-41-36/37/38-34-24/25 |
| Gefahrensymbole | Xn,Xi,C |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36/39-45-36/37/39-36-27-36/37 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-Methylpyridine-3-amine, is a heterocyclic building block used in the manufacture of various pharmaceutical compounds. It can be used for the synthesis of 2-aminoquinazoline derivatives, as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators (mGluR5), leading toward a drug candidate for the treatment of l-DOPA induced dyskinesia.