HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxykynurenine
Hydroxykynurenine · NSC 96400-13C2,15N · DL-3-HYDROXYKYUNRENINE · DL-3-HYDROXYKYNURENINE · 3-Hydroxy-DL-kynurenine · HYDROXY-DL-KYNURENINE, 3- · Hydroxykynurenine-13C2,15N · 3-Hydroxykynurenine-13C2,15N
Identifikatoren & physikalische Daten
| CAS No. | 2147-61-7 |
|---|---|
| Summenformel | C10H12N2O4 |
| Durchschnittliche Molmasse | 224,21 g/mol |
| Monoisotopische Masse | 224,07970686 g/mol |
| SMILES | Nc1c(O)cccc1C(=O)CC(N)C(=O)O |
| InChIKey | VCKPUUFAIGNJHC-UHFFFAOYSA-N |
| PubChem CID | 89 |
| ChEMBL | CHEMBL442576 |
| ChEBI | CHEBI:1547 |
| EC No. | 633-645-7 |
| DTXSID | DTXSID00862009 |
Chemische & physikalische Eigenschaften
| XLogP | -2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 127 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 282 |
| Schmelzpunkt | 217 °C>195°C (dec.) |
| Physical Description | Solid |
| Collision Cross Section | 160.83 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field] |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly, Heated), Water (Slightly, Heated, Sonicated) |
| Aggregatzustand | Solid |
| Farbe | Light Yellow to Yellow |
| Stabilität | Hygroscopic |
| CAS Datenbank | 2147-61-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
Labelled analogue of 3-Hydroxykynurenine is a metabolite of tryptophan. s generator and a potential endogenous neurotoxin.