Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Isophorone diisocyanate / IPDI 4098-71-9 169132
Structure Other Information
Canonical SMILES CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
Iso SMILES CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C
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
InChI Key NIMLQBUJDJZYEJ-UHFFFAOYSA-N
Formula C12H18N2O2
Mol Weight 222.284
XlogP3 4.5
Charge 0

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Synonyms Information
CAS Name 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
IUPAC Name 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
Openeye Name 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Systematic Name 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane
Tratitional Name 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexane