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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > isocyanates > diisocyanate > isophorone diisocyanate
organooxygen compound > isocyanates > diisocyanate > isophorone diisocyanate

Preferred term

isophorone diisocyanate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C12H18N2O2

has_functional_parent

inchi

  • InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3

inchikey

  • NIMLQBUJDJZYEJ-UHFFFAOYSA-N

mass

  • 222.28350

monoisotopicmass

  • 222.13683

smiles

  • CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

subset

  • 3_STAR

synonym EXACT

  • 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
  • Isophorone diisocyanate

synonym RELATED

  • 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate
  • IPDI
  • Isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester
  • Isophorone diamine diisocyanate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:53214

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