1-Benzyl-3-piperidone hydrochloride hydrate

HCID 3084924CAS 346694-73-3

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Grundinformationen

Standard-SMILES: Cl.O=C1CCCN(Cc2ccccc2)C1
InChIKey: OVWSFXNSJDMRPV-UHFFFAOYSA-N
Summenformel: C12H16ClNO
Durchschnittliche Molmasse: 225,71 g/mol
Monoisotopische Masse: 225,0920418

Namen und Bezeichner

Bevorzugter Name: 1-Benzyl-3-piperidone hydrochloride hydrate
IUPAC: 1-benzylpiperidin-3-one;hydrochloride
Englischer Name: 1-Benzyl-3-piperidone hydrochloride hydrate
Summenformel: C12H15NO.ClH.H2O
Molmasse: 243.72982

Namen und Synonyme

50606-58-11-Benzyl-3-piperidone Hydrochloride1-Benzyl-3-piperidone HCl hydrateEINECS 256-646-0DTXSID60198654RefChem:429892DTXCID20121145256-646-0688-075-11-benzyl-3-piperidone hydrochloride hydrate346694-73-31-benzylpiperidin-3-one hydrochloride

Weitere Namen anzeigen

3-Piperidinone, 1-(phenylmethyl)-, hydrochloride1-Benzyl-3-piperidinone hydrochlorideMFCD000127911-BENZYLPIPERIDIN-3-ONE HCL1-benzylpiperidin-3-one;hydrochlorideAKOS005259740AS-12347B3419

Datenbank-Bezeichner

CAS: 346694-73-3、50606-58-1
PubChem CID: 3084924
DTXSID: DTXSID60198654
EC Number: 256-646-0、688-075-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 196

Physikochemische Eigenschaften

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
CAS Datenbank: 346694 · 346694-73-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (75%): 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 exposure; Respiratory 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)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.