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CHEBI:156221 - 1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione

ChEBI IDCHEBI:156221
ChEBI Name1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione
Stars
DefinitionA diisocyanate in which an isocyanatoheyl group is linked to each of the nitrogens in 1,3-diazetidine-2,4-dione.
Last Modified20 July 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H24N4O4
Net Charge0
Average Mass336.392
Monoisotopic Mass336.17976
SMILESO=C=NCCCCCCN1C(=O)N(CCCCCCN=C=O)C1=O
InChIInChI=1S/C16H24N4O4/c21-13-17-9-5-1-3-7-11-19-15(23)20(16(19)24)12-8-4-2-6-10-18-14-22/h1-12H2
InChIKeyZIZJPRKHEXCVLL-UHFFFAOYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione (CHEBI:156221) is a diisocyanate (CHEBI:53213)
1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione (CHEBI:156221) is a uretdiones (CHEBI:156222)
IUPAC Name 
1,3-bis(6-isocyanatohexyl)-1,3-diazetidine-2,4-dione
Synonyms  Source
uretdione of hexamethylene diisocyanateChEBI
uretdione of HDIChEBI
Citations