EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:53578 - hexamethylene diisocyanate
| Formula | C8H12N2O2 |
| Net Charge | 0 |
| Average Mass | 168.196 |
| Monoisotopic Mass | 168.08988 |
| SMILES | O=C=NCCCCCCN=C=O |
| InChI | InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2 |
| InChIKey | RRAMGCGOFNQTLD-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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. 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, 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) |
| hexamethylene diisocyanate (CHEBI:53578) has role allergen (CHEBI:50904) |
| hexamethylene diisocyanate (CHEBI:53578) has role hapten (CHEBI:59174) |
| hexamethylene diisocyanate (CHEBI:53578) is a diisocyanate (CHEBI:53213) |
| IUPAC Name |
|---|
| 1,6-diisocyanatohexane |
| Synonyms | Source |
|---|---|
| HDI | ChemIDplus |
| 1,6-Hexamethylene diisocyanate | ChemIDplus |
| 1,6-Diisocyanatohexane | ChemIDplus |
| 1,6-Hexanediol diisocyanate | ChemIDplus |
| 1,6-Hexylene diisocyanate | ChemIDplus |
| Hexamethylene-1,6-diisocyanate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| Hexamethylene_diisocyanate | Wikipedia |
| Citations |
|---|