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CHEBI:53216 - dicyclohexylmethane-4,4'-diisocyanate

ChEBI IDCHEBI:53216
ChEBI Namedicyclohexylmethane-4,4'-diisocyanate
Stars
DefinitionA diisocyanate consisting of dicyclohexylmethane with two isocyanate groups at the 4- and 4'-positions.
Last Modified21 March 2016
Submitterzjosephs
DownloadsMolfile
FormulaC15H22N2O2
Net Charge0
Average Mass262.353
Monoisotopic Mass262.16813
SMILESO=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1
InChIInChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2
InChIKeyKORSJDCBLAPZEQ-UHFFFAOYSA-N
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.
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)
dicyclohexylmethane-4,4'-diisocyanate (CHEBI:53216) has role allergen (CHEBI:50904)
dicyclohexylmethane-4,4'-diisocyanate (CHEBI:53216) is a diisocyanate (CHEBI:53213)
IUPAC Name 
1,1'-methylenebis(4-isocyanatocyclohexane)
Synonyms  Source
4,4'-DiisocyanatodicyclohexylmethaneChemIDplus
Hydrogenated MDIChemIDplus
Hylene WChemIDplus
Methylene bis(4-cyclohexylisocyanate)ChemIDplus
Methylene bis-(4-cyclohexylisocyanate)ChemIDplus
HMDIChEBI
Manual XrefsDatabases
US2011021810Patent
Registry NumbersSources
Reaxys:2217800Reaxys
CAS:5124-30-1ChemIDplus
CAS:5124-30-1NIST Chemistry WebBook
Citations