1-(β-Phenethyl)-4-piperidon
NPP · N-Phenethyl-4-piperidone · 1-(BETA-PHENETHYL)-4-PIPERIDONE · 1-(2-PHENETHYL)-4-PIPERIDONE · nandrolone propanoate · LABOTEST-BB LT00159981 · 1-phenethyl-4-piperidon · 1-PHENETHYL-4-PIPERIDONE
Identifikatoren & physikalische Daten
| CAS No. | 39742-60-4 |
|---|---|
| Summenformel | C13H17NO |
| Durchschnittliche Molmasse | 203,28 g/mol |
| Monoisotopische Masse | 203,13101416 g/mol |
| SMILES | O=C1CCN(CCc2ccccc2)CC1 |
| InChIKey | YDJXNYNKKXZBMP-UHFFFAOYSA-N |
| PubChem CID | 96437 |
| EC No. | 254-613-5 |
| DTXSID | DTXSID30192826 |
| Lokaler Name | 1-(β-Phenethyl)-4-piperidon |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 199 |
| Schmelzpunkt | 57-60 °C(lit.) |
| Siedepunkt | 341.6°C (rough estimate) |
| Dichte | 1.0156 (rough estimate) |
| Brechungsindex | 1.5400 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | ethanol: soluble, clear to hazy, light yellow to yellow (50 mg/mL) |
| pKa (Säurekonstante) | 8.02±0.20(Predicted) |
| Aggregatzustand | A crystalline solid |
| BRN | 130302 |
| InChI | 1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2 |
| InChIKey | YDJXNYNKKXZBMP-UHFFFAOYSA-N |
| SMILES | O=C1CCN(CC1)CCc2ccccc2 |
| CAS Datenbank | 39742-60-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.WarningH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)Status: Active Update: 20-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20093 |
| Weitere Sicherheitsinformationen | IMAP assessments - 4-Piperidinone, 1-(2-phenylethyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (98%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29333999 |
| RTECS-Nr. | TN8990300 |
| R-Sätze (R) | 22-34-11 |
| Gefahrensymbole | Xn,C,F |
| Sicherheitshinweise (S) | 22-24/25-45-26-36/37/39-16 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
1-phenethyl-4-piperidone is a derivative of 4-piperidinone, being used as an intermediate during the manufacture of chemicals. It is applied for the manufacturing of phenethyl derivative of the propanamide as well as the synthesis of l-Phenethylazacycloheptan-4 -one. It is also used in drugs such as illicitly manufactured nonpharmaceutical fentanyl (NPF) (a potent agonist of opioidreceptors used for anaesthesia and analgesia.
Verwenden
1-Phenethyl-4-piperidone was used in the preparation of phenethyl derivative of the propanamide. It was also used to synthesize l-Phenethylazacycloheptan-4-one.