6,6-Dimethylpiperidine-2,4-dione

HCID 12695593

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Grundinformationen

CAS: 5239-39-4
Standard-SMILES: CC1(C)CC(=O)CC(=O)N1
InChIKey: APZLJMYONPJZSK-UHFFFAOYSA-N
Summenformel: C7H11NO2
Durchschnittliche Molmasse: 141,17 g/mol
Monoisotopische Masse: 141,07897859

Namen und Bezeichner

Bevorzugter Name: 6,6-Dimethylpiperidine-2,4-dione
IUPAC: 6,6-dimethylpiperidine-2,4-dione
Englischer Name: 6,6-diMethylpiperidine-2,4-dione
Summenformel: C7H11NO2
Molmasse: 141.17

Namen und Synonyme

6,6-dimethylpiperidine-2,4-dione5239-39-4DTXSID70507157RefChem:306073DTXCID10457965818-910-96,6-Dimethyl-piperidine-2,4-dioneMFCD125476702,4-Piperidinedione, 6,6-dimethyl-SCHEMBL9467386,6-dimethyl-2,4dioxopiperidineAPZLJMYONPJZSK-UHFFFAOYSA-N

Weitere Namen anzeigen

6,6-dimethyl-piperidine-2,5-dione

6,6-Dimethyl-2,4-piperidindione6,6-dimethyl-2,4-dioxopiperidine6,6-dimethyl-2,4-Piperidinedione6,6-Dimethyl-2,4-piperidine dioneAKOS015842146CS-W004228SB37498AS-40471

Datenbank-Bezeichner

CAS: 5239-39-4
PubChem CID: 12695593
DTXSID: DTXSID70507157
EC Number: 818-910-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 46,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 184

Physikochemische Eigenschaften

Schmelzpunkt: 182.8 · 182.8-183.0℃ (1-butanol )
Siedepunkt: 318 · 318.0±35.0 °C(Predicted)
Dichte: 1.054 · 1.054±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 12.12 · 12.12±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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 2 reports by companies from 2 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.