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Reference substances

Reference substances

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General information

Inventory

EC number:
223-861-6
EC name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
CAS number:
4098-71-9

No inventory information available

Reference substance information

IUPAC name:
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

CAS information

CAS number:
4098-71-9

Molecular and structural information

Molecular formula:
C12H18N2O2
Molecular weight:
ca. 222.28
SMILES notation:
O=C=NCC1(C)CC(N=C=O)CC(C)(C)C1
InChl:
InChI=1/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
Structural formula:
Chemical structure