1-Phenyl-4-piperidinone

HCID 413009CAS 19125-34-9

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Grundinformationen

Standard-SMILES: O=C1CCN(c2ccccc2)CC1
InChIKey: VPGLFNOKHAIGEC-UHFFFAOYSA-N
Summenformel: C11H13NO
Durchschnittliche Molmasse: 175,23 g/mol
Monoisotopische Masse: 175,09971404

Namen und Bezeichner

Bevorzugter Name: 1-Phenyl-4-piperidinone
IUPAC: 1-phenylpiperidin-4-one
Englischer Name: 1-N-PHENYL-PIPERIDIN-4-ONE
Summenformel: C11H13NO
Molmasse: 175.23

Namen und Synonyme

1-PHENYL-4-PIPERIDINONERefChem:435650805-098-61-phenylpiperidin-4-one19125-34-9N-Phenylpiperidin-4-one4-Piperidinone, 1-phenyl-MFCD07367770phenyl-4 piperidoneN-Phenyl-4-piperidone1-Phenyl-piperidin-4-one4-Piperidone, 1-phenyl-

Weitere Namen anzeigen

1-Phenyl-4-piperidone4-Piperidinone,1-phenyl-1-N-PHENYL-PIPERIDIN-4-ONE1-phenylpiperidin-4-one(SALTDATA: FREE)

SCHEMBL532107SCHEMBL1810917SCHEMBL27557273DTXSID80328673VPGLFNOKHAIGEC-UHFFFAOYSA-NAKOS000196629AB31242CS-W005481

Datenbank-Bezeichner

CAS: 19125-34-9
PubChem CID: 413009
DTXSID: DTXSID80328673
EC Number: 805-098-6
Nikkaji: J814.521K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Schmelzpunkt: 36.5 · 36.5-37.2℃
storage temp.: Sealed in dry,Room Temperature
InChI: InChI=1S/C11H13NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey: VPGLFNOKHAIGEC-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)CCC(=O)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.