CHEBI:53578 - hexamethylene diisocyanate

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ChEBI Name hexamethylene diisocyanate
ChEBI ID CHEBI:53578
Definition A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H12N2O2
Net Charge 0
Average Mass 168.19310
Monoisotopic Mass 168.090
InChI InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
InChIKey RRAMGCGOFNQTLD-UHFFFAOYSA-N
SMILES O=C=NCCCCCCN=C=O
Roles Classification
Biological Role(s): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
allergen
A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via diisocyanate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hexamethylene diisocyanate (CHEBI:53578) has role hapten (CHEBI:59174)
hexamethylene diisocyanate (CHEBI:53578) is a diisocyanate (CHEBI:53213)
IUPAC Name
1,6-diisocyanatohexane
Synonyms Sources
1,6-Diisocyanatohexane ChemIDplus
1,6-Hexamethylene diisocyanate ChemIDplus
1,6-Hexanediol diisocyanate ChemIDplus
1,6-Hexylene diisocyanate ChemIDplus
HDI ChemIDplus
Hexamethylene diisocyanate NIST Chemistry WebBook
Hexamethylene-1,6-diisocyanate ChemIDplus
Hexane 1,6-diisocyanate ChemIDplus
HMDI NIST Chemistry WebBook
Manual Xref Database
Hexamethylene_diisocyanate Wikipedia
View more database links
Registry Numbers Types Sources
50636 Gmelin Registry Number Gmelin
822-06-0 CAS Registry Number ChemIDplus
822-06-0 CAS Registry Number NIST Chemistry WebBook
956709 Beilstein Registry Number Beilstein
956709 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11927838 PubMed citation Europe PMC
16731584 PubMed citation Europe PMC
17042142 PubMed citation Europe PMC
21878336 PubMed citation Europe PMC
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22419182 PubMed citation Europe PMC
22449630 PubMed citation Europe PMC
23178851 PubMed citation Europe PMC
23262421 PubMed citation Europe PMC
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24083673 PubMed citation Europe PMC
6296214 PubMed citation Europe PMC
Last Modified
05 December 2013