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Reference substances

Reference substances

Currently viewing:
IUPAC name:
3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate homopolymer

Inventory

EC number:
500-125-5
EC name:
3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomers
CAS number:
53880-05-0
CAS number:
53880-05-0
Synonyms
Names:
IPDI homopolymer
Isophorone diisocyanate homopolymer

Molecular and structural information

Molecular formula:
residual C12H18N2O2, otherwise C36H54N6O6 (trimer) and higher species
Molecular weight:
>= 222.29
SMILES notation:
C1C(N=C=O)CC(C)(C)CC1(C)CN2C(=O)N(CC3(C)CC(C)(C)CC(N=C=O)C3)C(=O)N(CC4(C)CC(C)(C)CC(N=C=O)C4)C2=O (Trimer)
InChl:
InChI=1S/C36H54N6O6/c1-31(2)10-25(37-22-43)13-34(7,16-31)19-40-28(46)41(20-35(8)14-26(38-23-44)11-32(3,4)17-35)30(48)42(29(40)47)21-36(9)15-27(39-24-45)12-33(5,6)18-36/h25-27H,10-21H2,1-9H3 (Trimer)
Structural formula:
Chemical structure

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