HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 6-aminonicotinate
Methyl 6-Aminopyridine-3-carboxylate · 6-Aminonicotinic · 6-aMinopyridine-3-ca · Methyl 6-aminonicotite · METHYL 6-AMINONICOTINATE · methyl 6-aminonicotinoate · Methyl6-Aminonicotinate>Methyl 6-aminonicotinate 97% · 3-AMINONICOTINIC ACID METHYL ESER
Identifikatoren & physikalische Daten
| CAS No. | 36052-24-1 |
|---|---|
| Summenformel | C7H8N2O2 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,0585775 g/mol |
| SMILES | COC(=O)c1ccc(N)nc1 |
| InChIKey | JACPDLJUQLKABC-UHFFFAOYSA-N |
| PubChem CID | 737487 |
| ChEMBL | CHEMBL1864652 |
| EC No. | 629-051-2 |
| DTXSID | DTXSID60353246 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| Löslichkeit | >22.8 [ug/mL] (The mean of the results at pH 7.4)DMSO, Methanol |
| Schmelzpunkt | 158-162 °C (lit.) |
| Siedepunkt | 304.5±22.0 °C(Predicted) |
| Dichte | 1.238±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.78±0.13(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to light yellow-beige or pink |
| InChI | InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3,(H2,8,9) |
| InChIKey | JACPDLJUQLKABC-UHFFFAOYSA-N |
| SMILES | C1=NC(N)=CC=C1C(OC)=O |
| CAS Datenbank | 36052-24-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (94.2%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (94.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Methyl 6-aminonicotinate can be used in ointments for treatment of psoriasis.