chempirical

1,3,4,6-Tetraacetyltetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione

C12H14N4O6CAS 10543-60-9310.27 g/mol

Open in Covalent MOL file
ONONONOONO
AmideUrea

Properties

Molecular formula
C12H14N4O6
Molar mass
310.27 g/mol
Exact mass
310.0913 Da
Melting point
234–238 °C (decomposes)
logP
-0.70Crippen estimate
Polar surface area
115.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
10543-60-9
SMILES
CC(=O)N1C(=O)N(C(C)=O)C2C1N(C(C)=O)C(=O)N2C(C)=O
InChIKey
KIHGYZTVBURVBA-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4O6/c1-5(17)13-9-10(15(7(3)19)11(13)21)16(8(4)20)12(22)14(9)6(2)18/h9-10H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Tetraacetylglycoluril
  • Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, 1,3,4,6-tetraacetyltetrahydro-
  • Glycoluril, 1,3,4,6-tetraacetyl-
  • 1,3,4,6-Tetraacetyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
  • 1,3,4,6-Tetraacetylglycoluril
  • Tetraacetylglyclouril
  • N,N′,N′′,N′′′Tetraacetylglycoluril
  • 1,3,4,6-Tetraacetyl-tetrahydro-imidazo[4,5-d]imidazole-2,5-dione
  • 1,3,4,6-Tetraacetyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

Work with 1,3,4,6-Tetraacetyltetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methyldiacetamide1113-68-439 % similar Dimethylacetamide127-19-539 % similar Tetraacetylethylenediamine10543-57-438 % similar 1,4-Diacetyl-2,5-piperazinedione3027-05-235 % similar N-Acetylpyrrolidine4030-18-635 % similar N,N-Diethylacetamide685-91-635 % similar 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-634 % similar 3-Acetyl-1-chlorocarbonyl-2-imidazolidone41730-71-634 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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