Tetramethoxymethyl glycoluril

C12H22N4O6CAS 17464-88-9318.33 g/mol

Open in Covalent MOL file
ONONONOONO
EtherUrea

Properties

Molecular formula
C12H22N4O6
Molar mass
318.33 g/mol
Exact mass
318.1539 Da
Melting point
90 °C
logP
-0.47Crippen estimate
Polar surface area
84.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
8

Hazards

Not classified as hazardous under GHS by 209 ECHA notifiers. Aggregated from 209 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
17464-88-9
SMILES
COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC
InChIKey
XGQJGMGAMHFMAO-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.83 (d, J = 7.0 Hz, 1H), 6.58 (d, J = 7.0 Hz, 1H), 4.46 (s, 8H), 3.30 (s, 12H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 158.6, 81.4, 77.0, 56.1.
[M + H]+
[M + H]+ Calcd for C12H23N4O6 319.1612
[M + Na]+
[M + Na]+ Calcd for C12H22N4NaO6 341.1432
[M − H]−
[M − H]− Calcd for C12H21N4O6 317.1467
Elemental analysis
Anal. Calcd for C12H22N4O6: C, 45.28; H, 6.97; N, 17.60.

Weigh it out

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

Names and synonyms

15 names · show all
  • Mx 270
  • Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(methoxymethyl)-
  • Glycoluril, 1,3,4,6-tetrakis(methoxymethyl)-
  • Glycoluril, tetrakis(methoxymethyl)-
  • Tetrahydro-1,3,4,6-tetrakis(methoxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)-dione
  • Tetrakis(methoxymethyl)glyoxal diureine
  • Tetrakis(methoxymethyl)glycoluril
  • N,N′,N′′,N′′′-Tetrakis(methoxymethyl)glycoluril
  • Cymel 1174
  • Powderlink 1174
  • 1,3,4,6-Tetrakis(methoxymethyl)glycoluril
  • Nikalac MX 270
  • Nikalac N 2702
  • PL 1174
  • PD 1174

Work with Tetramethoxymethyl glycoluril

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

Cucurbituril80262-44-850 % similar Tetramethylolacetylenediurea5395-50-644 % similar Methoxyacetone5878-19-331 % similar 1,3,4,6-Tetraacetyltetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione10543-60-930 % similar Hexamethoxymethylmelamine3089-11-030 % similar Methoxyacetyl chloride38870-89-230 % similar Methoxyacetic acid625-45-630 % similar Methyl methoxyacetate6290-49-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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