1-Methylimidazolidine-2,4,5-trione

HCID 123196CAS 3659-97-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN1C(=O)NC(=O)C1=O
InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N
Summenformel: C4H4N2O3
Durchschnittliche Molmasse: 128,09 g/mol
Monoisotopische Masse: 128,02219199

Überblick

Methylparabanic acid is a member of imidazolidines.

Namen und Bezeichner

Bevorzugter Name: 1-Methylimidazolidine-2,4,5-trione
IUPAC: 1-methylimidazolidine-2,4,5-trione
Englischer Name: 1-Methylparabanic acid
Summenformel: C4H4N2O3
Molmasse: 128.09

Namen und Synonyme

1-methylimidazolidine-2,4,5-trione1-Methyl-2,4,5-imidazolidinetrioneRefChem:434630874-484-43659-97-0Methylparabanic acid1-Methylparabanic acidImidazolidinetrione, methyl-N-Methylparabanic acidMFCD004570471-Methyl-2,4,5-trioxoimidazolidine1-methylimidazolidinetrione

Weitere Namen anzeigen

2,4,5-Imidazolidinetrione, 1-methyl-

MethylparabansaureN-MethylimidazolidinetrioneCHEBI:6886SCHEMBL1609527SCHEMBL2728471SCHEMBL6552008DTXSID001900761-Methyl-imidazolidine-2,4,5-trione

Datenbank-Bezeichner

CAS: 3659-97-0
PubChem CID: 123196
DTXSID: DTXSID00190076
ChEBI: CHEBI:6886
EC Number: 874-484-4
Nikkaji: J284.219J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 66,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 198

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C
Aggregatzustand: solid
InChI: 1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)
InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N
SMILES: O=C(NC1=O)N(C)C1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.