1-Acetyl-2-imidazolidinon

N-Acetylimidazolidinone

HCID 79350CAS 5391-39-9

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Grundinformationen

Standard-SMILES: CC(=O)N1CCNC1=O
InChIKey: JJWACYUTERPMBM-UHFFFAOYSA-N
Summenformel: C5H8N2O2
Durchschnittliche Molmasse: 128,13 g/mol
Monoisotopische Masse: 128,0585775

Namen und Bezeichner

Bevorzugter Name: N-Acetylimidazolidinone
IUPAC: 1-acetylimidazolidin-2-one
Lokaler Name: 1-Acetyl-2-imidazolidinon
Englischer Name: 1-Acetyl-2-imidazolidinone
Summenformel: C5H8N2O2
Molmasse: 128.13

Namen und Synonyme

1-Acetyl-2-imidazolidinone5391-39-9N-Acetyl-2-Imidazolidinone2-Imidazolidinone, 1-acetyl-N-AcetylimidazolidinoneI618FH9ZLMEINECS 226-388-31-ACETYLIMIDAZOLIDINONECLONIDINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]CLONIDINE HYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:828913226-388-3

Weitere Namen anzeigen

Acetyl Ethylene UreaRARECHEM AQ NN 0041ACETYL IMIDAZO-2-ONEClonidine Impurity AClonidine IMpurity-A(BP)1-Acetyl-2-Imidazolidone1-acetyl-2-imidazolidine

1-acetylimidazolidin-2-oneMFCD00988254Clonidine EP Impurity A1-Acetyl-imidazolidin-2-oneN-acetyl-2imidazolidinoneN-acetyl-imidazolid-2-one1-acetyl-imidazolidine-2-one1- Acetyl-imidazolidin-2-on

Datenbank-Bezeichner

CAS: 5391-39-9
PubChem CID: 79350
DTXSID: DTXSID40202187
ChEMBL: CHEMBL4576725
UNII: I618FH9ZLM
EC Number: 226-388-3
Nikkaji: J217.942C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 49,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 173 · 173-175°C
Dichte: 1.237 · 1.237
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly, Heated)
Aggregatzustand: Solid
pka: 12.11 · 12.11±0.20(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChIKey: JJWACYUTERPMBM-UHFFFAOYSA-N
SMILES: C1(=O)N(C(C)=O)CCN1
CAS Datenbank: 5391 · 5391-39-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.

Warning

H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.