4,5-Dihydroxyimidazolidin-2-on

2-Imidazolidinone, 4,5-dihydroxy-

HCID 97915CAS 3720-97-6

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Grundinformationen

Standard-SMILES: O=C1NC(O)C(O)N1
InChIKey: NNTWKXKLHMTGBU-UHFFFAOYSA-N
Summenformel: C3H6N2O3
Durchschnittliche Molmasse: 118,09 g/mol
Monoisotopische Masse: 118,03784205

Namen und Bezeichner

Bevorzugter Name: 2-Imidazolidinone, 4,5-dihydroxy-
IUPAC: 4,5-dihydroxyimidazolidin-2-one
Lokaler Name: 4,5-Dihydroxyimidazolidin-2-on
Englischer Name: 4,5-Dihydroxytetrahydro-2H-imidazol-2-one
Summenformel: C3H6N2O3
Molmasse: 118.09

Namen und Synonyme

4,5-Dihydroxyimidazolidin-2-one3720-97-6DihydroxyethyleneureaGlyoxalmonoureinGlyoxalmonoureine4,5-Dihydroxy-2-imidazolidinoneAcetylene monourein4,5-Dihydroxyethyleneurea(1,2-Dihydroxyethylene)urea2-Imidazolidinone, 4,5-dihydroxy-4,5-Dihydroxyimidazolidone-24,5-Dihydroxytetrahydroimidazol-2-one

Weitere Namen anzeigen

Oxonic Acid Impurity 3Potassium Otiraci Impurity 24,5-Dihydroxy-2-imidazolidone4,5-Dihydroxy-imidazoline-dione4,5-Dihydroxytetrahydro-2H-imidazol-2-one1-Naphthalenesulfonicacid,6-diazo-5,6-dihydro-5-oxo,esterwith4,4'-[1-[4-[Chemicalbook1-(4-hydroxyphenyl)-1-methylethyl]phenyl]-ethylidene]bis[phenol

EINECS 223-070-6NSC 57542DTXSID00520494,5DihydroxyethyleneureaRefChem:4735424,5Dihydroxyimidazolidone2(1,2Dihydroxyethylene)urea4,5Dihydroxyimidazolidin2one

Datenbank-Bezeichner

CAS: 3720-97-6
PubChem CID: 97915
DTXSID: DTXSID0052049
EC Number: 223-070-6
Nikkaji: J38.284A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,9
Polarare Oberfläche (TPSA): 81,6 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 103

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Biochemical Research

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 157 · 157-160°C
Siedepunkt: 531.5 · 531.5±50.0 °C(Predicted)
Dichte: 1.657 · 1.657±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Sonicated)
Aggregatzustand: Solid
pka: 12.13 · 12.13±0.60(Predicted)
Farbe: Off-White
Stabilität: Hygroscopic
LogP: -1.904 · -1.904 (est)
EPA chemische Informationen: 2 · 2-Imidazolidinone, 4,5-dihydroxy- (3720-97-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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.