4-Piperidon

4-Piperidone

HCID 33721CAS 41661-47-6

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Grundinformationen

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 Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 29,1 Å²
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

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 1 Eintrag

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 · 1 Eintrag

Sicherheitsdaten

ridadr: 1993
hs_code: 2914390090
risk_code: 11-20/21/22
safety_code: 16-26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Verwendung und Herstellung

DEA Listed Chemicals · 2 Einträge

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 · 2 Einträge

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).