Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

HCID 102623CAS 1454-53-1

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Grundinformationen

Standard-SMILES: CCOC(=O)C1CN(Cc2ccccc2)CCC1=O.Cl
InChIKey: YPFMNHZRNXPYBG-UHFFFAOYSA-N
Summenformel: C15H20ClNO3
Durchschnittliche Molmasse: 297,78 g/mol

Namen und Bezeichner

Bevorzugter Name: Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
IUPAC: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride

Namen und Synonyme

Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochlorideEINECS 215-929-9NSC 15156RefChem:593303215-929-91454-53-11-Benzyl-3-carbethoxy-4-piperidone hydrochlorideEthyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride1-Benzyl-3-ethoxycarbonyl-4-piperidone Hydrochloride1-BENZYL-3-CARBETHOXY-4-PIPERIDONE HCLMFCD000128001-Benzyl-3-carboethoxy-4-piperidone hydrochloride

Weitere Namen anzeigen

3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochlorideethyl 1-benzyl-4-oxopiperidine-3 -carboxylate hydrochlorideethyl 4-oxo-1-benzylpiperidine-3-carboxylate, chlorideSCHEMBL1000168RHLGESNVVDXRQP-UHFFFAOYSA-NYPFMNHZRNXPYBG-UHFFFAOYSA-NCS-D0522

Datenbank-Bezeichner

CAS: 1454-53-1
PubChem CID: 102623
EC Number: 215-929-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 46,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 20
Formalladung: 0
Komplexität: 323

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.