4-Piperidon
4-Piperidone
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Grundinformationen
- CAS
41661-47-6- Standard-SMILES
O=C1CCNCC1- InChIKey
VRJHQPZVIGNGMX-UHFFFAOYSA-N- Summenformel
- C5H9NO
- Durchschnittliche Molmasse
- 99,13 g/mol
- Monoisotopische Masse
- 99,06841391
Namen und Bezeichner
- Bevorzugter Name
- 4-Piperidone
- IUPAC
- piperidin-4-one
- Lokaler Name
- 4-Piperidon
- Englischer Name
- 4-Piperidinone
- Summenformel
- C5H9NO
- Molmasse
- 99.13
Namen und Synonyme
4-Piperidone4-Piperidinone15WP1EA7UHEINECS 255-481-1UNII-15WP1EA7UH.GAMMA.-PIPERIDINONEDTXSID50194488GAMMA-PIPERIDINONERefChem:100408DTXCID60116979255-481-14-piperidone (piperidin-4-one), its acetals, its amides, its carbamates, its salts, and salts of its acetals, its amides, and its carbamates, and any combination thereof, whenever the existence of such is possible.
Weitere Namen anzeigen
4-piperidinLUBE-013γ-Piperidone1-yl)acetyl)-4-Piperidinonγ-Piperidinone
VRJHQPZVIGNGMX-UHFFFAOYSA-Npiperidin-4-one41661-47-64-oxopiperidine4piperidone4-oxo-piperidinepiperid-4-one4-Piperidone, AldrichCPR
Datenbank-Bezeichner
- CAS
41661-47-6- PubChem CID
- 33721
- DTXSID
DTXSID50194488- UNII
- 15WP1EA7UH
- EC Number
- 255-481-1
- Nikkaji
- J16.026A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 72
Physikochemische Eigenschaften
- Siedepunkt
- 175.1 · 175.1±15.0 °C(Predicted)
- Dichte
- 1.001 · 1.001±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.20(Predicted)
- Aggregatzustand
- solid
- Farbe
- yellow
- CAS Datenbank
- 41661 · 41661-47-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
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)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatorische Informationen
Regulatory Information
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)
Sicherheitsdaten
- ridadr
- 1993
- hs_code
Chemie und Industrie
Verwendung und Herstellung
DEA Listed Chemicals
4-piperidone (piperidin-4-one), its acetals, its amides, its carbamates, its salts, and salts of its acetals, its amides, and its carbamates, and any combination thereof, whenever the existence of such is possible.
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)
Anwendungen
Beschreibung4-Piperidinone is a derivative of piperidine with the molecular formula C5H9NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs.Piperidones are a class of chemical compounds sharing the piperidone skeleton. A classic named reaction for the synthesis of piperidones is the Petrenko-Kritschenko piperidone synthesis which involves combining an alkyl-1,3-acetonedicarboxylate with benzaldehyde and an amine. This multicomponent reaction is related to the Hantzsch pyridine synthesis.
Verwenden4-Piperidone monohydrate hydrochloride was used in the generation of compound libraries based on sub-reactions of an Ugi multicomponent reaction (MCR).
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