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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4438995Erstellt: 27. Oktober 2026

3-(Phenylmethyl)-2-piperidinone

3-benzylpiperidin-2-one · 2-Piperidinone, 3-(phenylmethyl)-

https://huagongshe.com/de/chemical/4438995

Molekülstruktur von 3-(Phenylmethyl)-2-piperidinone

Identifikatoren & physikalische Daten

CAS No.81976-72-9
SummenformelC12H15NO
Durchschnittliche Molmasse189,25 g/mol
Monoisotopische Masse189,1153641 g/mol
SMILESO=C1NCCCC1Cc1ccccc1
InChIKeyXVRZLXVKQFICTC-UHFFFAOYSA-N
PubChem CID4438995
ChEMBLCHEMBL144481
EC No.840-734-6
DTXSIDDTXSID501303777

Chemische & physikalische Eigenschaften

XLogP2
Polarare Oberfläche (TPSA)29,1
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen2
Schwere Atome14
Formalladung0
Komplexität196
Siedepunkt374.4±11.0 °C(Predicted)
Dichte1.067±0.06 g/cm3(Predicted)
pKa (Säurekonstante)16.61±0.40(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302