HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(2-hydroxyethyl)nicotinamide
N-(2-hydroxyethyl)pyridine-3-carboxamide · SG-86 · Nicorandil Impurity 1 · Nicondil EP Impurity B · Hydroxyethylnicotinamide · Nicorandil EP Impurity B · Nicorandil EP Impurity 2 · N-(2-hydroxyethyl)nicotinamide
Identifikatoren & physikalische Daten
| CAS No. | 6265-73-2 |
|---|---|
| Summenformel | C8H10N2O2 |
| Durchschnittliche Molmasse | 166,18 g/mol |
| Monoisotopische Masse | 166,07422756 g/mol |
| SMILES | O=C(NCCO)c1cccnc1 |
| InChIKey | SJZLOWYUGKIWAK-UHFFFAOYSA-N |
| PubChem CID | 72663 |
| ChEMBL | CHEMBL3264036 |
| EC No. | 811-328-6 |
| DTXSID | DTXSID30211708 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 150 |
| LogP (Verteilungskoeffizient) | -0.11 |
| Schmelzpunkt | 92 °C |
| Siedepunkt | 185-195 °C(Press: 0.4-0.6 Torr) |
| Dichte | 1.212±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.94±0.46(Predicted) |
| Farbe | White to Pale Yellow |
| InChI | InChI=1S/C8H10N2O2/c11-5-4-10-8(12)7-2-1-3-9-6-7/h1-3,6,11H,4-5H2,(H,10,12) |
| InChIKey | SJZLOWYUGKIWAK-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1C(NCCO)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Regulatorische Informationen | Status: Active Update: 18-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26454 |
| Hazard Classes and Categories | Not Classified |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
N-(2-Hydroxyethyl)nitotinamide is an intermediate used to prepare oxadiazole oxide derivatives as vasodilators. It is also a derivative of Nicorandil (N398500) which is an antiaginal.