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CHEBI:59098 - 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione

ChEBI IDCHEBI:59098
ChEBI Name1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione
Stars
DefinitionA triisocyanate being a derivative of isocyanuric acid with a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions.
Last Modified20 July 2020
Submitterzjosephs
DownloadsMolfile
FormulaC24H36N6O6
Net Charge0
Average Mass504.588
Monoisotopic Mass504.26963
SMILESO=C=NCCCCCCn1c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c1=O
InChIInChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2
InChIKeyKCZQSKKNAGZQSZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione (CHEBI:59098) has functional parent isocyanuric acid (CHEBI:17696)
1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione (CHEBI:59098) is a triisocyanate (CHEBI:59160)
IUPAC Name 
1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione
Synonyms  Source
HDI-ICChEBI
(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethyleneisocyanate)ChEBI
1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6 (1H,3H,5H)-trioneChemIDplus
(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanateChemIDplus
1,3,5-tris(isocyanatohexamethylene)isocyanurateChEBI
tris(6-isocyanatohexyl) isocyanurateChEBI
Manual XrefsDatabases
US4910332Patent
Registry NumbersSources
Reaxys:5367504Reaxys
CAS:3779-63-3ChemIDplus
Citations