HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Piperonylamine
TIMTEC-BB SBB004036 · 4-Piperidinone HCl H2O · 4-Piperidone hydrochloride hydrate · Piperidone Hydrochloride Monohydrate · Piperidin-4-one hydrochloride hydrate · 4-Piperidinone, hydrochloride, hydrate · 4-PIPERIDINONE, HYDROCHLORIDE, MONOHYDRATE · 4-Piperidinone,hydrochloride, hydrate (1:1:1)
Identifikatoren & physikalische Daten
| CAS No. | 320589-77-3 |
|---|---|
| Summenformel | C5H12ClNO2 |
| Durchschnittliche Molmasse | 153,61 g/mol |
| Monoisotopische Masse | 153,0556563 g/mol |
| SMILES | Cl.O.O=C1CCNCC1 |
| InChIKey | SXWRTZOXMUOJER-UHFFFAOYSA-N |
| PubChem CID | 2723901 |
| EC No. | 110-903-2 |
| DTXSID | DTXSID80960517 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 30,1 |
|---|---|
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 72,1 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Physical Description | Clear dark yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 94~96℃ |
| Lagerbedingungen | Store below +30°C. |
| pH | 4.0-5.5 (100g/L in H2O) |
| InChI | 1S/C5H9NO.ClH.H2O/c7-5-1-3-6-4-2-5/h6H,1-4H21H1H2 |
| InChIKey | SXWRTZOXMUOJER-UHFFFAOYSA-N |
| SMILES | [Cl-].N1CCC(=O)CC1.O.[H+] |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | An irritantMay induce methemoglobinemia[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Piperidone Monohydrate Hydrochloride is the hydrated form of 4-Piperidinone Hydrochloride. 4-Piperidinone Hydrochloride is a useful reagent for Fentanyl (F275000) synthesis. Fentanyl is an analgesic.