5-Ethyl-5-methylimidazolidin-2,4-dion
5-Ethyl-5-methylhydantoin
Grundinformationen
- CAS
5394-36-5- Standard-SMILES
CCC1(C)NC(=O)NC1=O- InChIKey
VSJRBQDMBFFHMC-UHFFFAOYSA-N- Summenformel
- C6H10N2O2
- Durchschnittliche Molmasse
- 142,16 g/mol
- Monoisotopische Masse
- 142,07422757
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 Ų
- 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 Ų [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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
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%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933290090
- RTECS-Nr.
- MU2070000
- risk_code
- 22
- Toxizität
- LD50 subcutaneous in mouse: 2gm/kg
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesLaboratory chemicals
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2,4-Imidazolidinedione, 5-ethyl-5-methyl-: ACTIVE
Anwendungen
VerwendenReactant for synthesis of nociceptin/orphanin FQ analogues
Zugehörige Reaktionen
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Notizen zur Verbindung
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