5-Methylpiperidin-2-one

HCID 10877083

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Grundinformationen

CAS: 3298-16-6
Standard-SMILES: CC1CCC(=O)NC1
InChIKey: NSRPFJGOCZUUHE-UHFFFAOYSA-N
Summenformel: C6H11NO
Durchschnittliche Molmasse: 113,16 g/mol
Monoisotopische Masse: 113,08406397

Namen und Bezeichner

Bevorzugter Name: 5-Methylpiperidin-2-one
IUPAC: 5-methylpiperidin-2-one
Englischer Name: 5-METHYL-2-PIPERIDINONE
Summenformel: C6H11NO
Molmasse: 113.16

Namen und Synonyme

5-methylpiperidin-2-one3298-16-6DTXSID30446679RefChem:304302DTXCID20397500841-854-15-methyl-2-piperidinoneMFCD131787002-Piperidinone, 5-methyl-(5R)-5-methylpiperidin-2-one5-methyl-2-piperidoneSCHEMBL1115543

Weitere Namen anzeigen

SCHEMBL9587320SCHEMBL16151237NSRPFJGOCZUUHE-UHFFFAOYSA-NAKOS006237444SB42941BS-12925SY033088DB-359057

Datenbank-Bezeichner

CAS: 3298-16-6
PubChem CID: 10877083
DTXSID: DTXSID30446679
EC Number: 841-854-1
Nikkaji: J986.469E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Schmelzpunkt: 40 °C · 40 °C
Siedepunkt: 254 · 254.0±9.0 °C(Predicted)
Dichte: 0.951 · 0.951±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 16 · 16+-.0.40(Predicted)
Farbe: Pale Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, 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.；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.