HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Oxo-4-(3-pyridyl)butyric acid
3-succinoylpyridine · OPBA · Cotinine Impurity 1 · -Oxo-3-pyridinebutyric Acid · γ-Oxo-3-pyridinebutyric Acid · γ-Oxo-3-pyridinebutanoic Acid · 3-Pyridinebutanoic acid, γ-oxo- · 3-Pyridinebutanoic acid, g-oxo-
Identifikatoren & physikalische Daten
| CAS No. | 4192-31-8 |
|---|---|
| Summenformel | C9H9NO3 |
| Durchschnittliche Molmasse | 179,17 g/mol |
| Monoisotopische Masse | 179,05824315 g/mol |
| SMILES | O=C(O)CCC(=O)c1cccnc1 |
| InChIKey | JGSUNMCABQUBOY-UHFFFAOYSA-N |
| PubChem CID | 437 |
| ChEMBL | CHEMBL3544790 |
| ChEBI | CHEBI:66951 |
| EC No. | 675-338-0 |
| DTXSID | DTXSID60863335 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 203 |
| LogP (Verteilungskoeffizient) | -1.06 |
| Physical Description | Solid |
| Schmelzpunkt | 129-130°C |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | DMSO, Methanol |
| Aggregatzustand | Solid |
| Farbe | Off-White to Light Beige |
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
A metabloite of NNK (Cat. # M325750)