5-Ethyl-5-methylimidazolidin-2,4-dion

5-Ethyl-5-methylhydantoin

HCID 82162CAS 5394-36-5

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Grundinformationen

Standard-SMILES: CCC1(C)NC(=O)NC1=O
InChIKey: VSJRBQDMBFFHMC-UHFFFAOYSA-N
Summenformel: C6H10N2O2
Durchschnittliche Molmasse: 142,16 g/mol
Monoisotopische Masse: 142,07422756

Überblick

a chiral active phramaceutical ingredient

Namen und Bezeichner

Bevorzugter Name: 5-Ethyl-5-methylhydantoin
IUPAC: 5-ethyl-5-methylimidazolidine-2,4-dione
Lokaler Name: 5-Ethyl-5-methylimidazolidin-2,4-dion
Englischer Name: 5-Ethyl-5-methylimidazolidine-2,4-dione
Summenformel: C6H10N2O2
Molmasse: 142.16

Namen und Synonyme

5-Ethyl-5-methylhydantoin5394-36-55-Methyl-5-ethylhydantoinMethylethylhydantoin2,4-Imidazolidinedione, 5-ethyl-5-methyl-DTXSID90413689434G2C47PNSC-1020DTXCID7021368RefChem:102571226-402-85-Ethyl-5-methylimidazolidine-2,4-dione

Weitere Namen anzeigen

5-Methyl-5-ethyl-2,4-imidazolidinedione

16820-12-5Hydantoin, 5-ethyl-5-methyl-NSC 1020MFCD00022402EINECS 226-402-8BRN 0081952UNII-9434G2C47PT11

Datenbank-Bezeichner

CAS: 5394-36-5
PubChem CID: 82162
DTXSID: DTXSID9041368
ChEMBL: CHEMBL3186277
UNII: 9434G2C47P
EC Number: 226-402-8
Nikkaji: J49.457G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 190

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLarge Crystals; Liquid

Collision Cross Section129.7 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9041368]

Physikochemische Eigenschaften

Schmelzpunkt: 144 · 144-150 ºC
Dichte: 1.095 · 1.095±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.93 · 8.93±0.10(Predicted)
InChI: 1S/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKey: VSJRBQDMBFFHMC-UHFFFAOYSA-N
SMILES: CCC1(C)NC(=O)NC1=O
EPA chemische Informationen: 2 · 2,4-Imidazolidinedione, 5-ethyl-5-methyl- (5394-36-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2,4-Imidazolidinedione, 5-ethyl-5-methyl-

2,4-Imidazolidinedione, 5-ethyl-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Imidazolidinedione, 5-ethyl-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesAcute Tox. 4 (100%)