1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

CAS Registry Number®

67873-91-0
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CAS Name

1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

Molecular Formula

C36H54N6O6

Molecular Mass

666.85

Cite this Page

1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67873-91-0 (retrieved 2024-09-08) (CAS RN: 67873-91-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BPRIYMTXVBEDNJ-UHFFFAOYSA-N

SMILES

C(N1C(=O)N(CC2(C)CC(N=C=O)CC(C)(C)C2)C(=O)N(CC3(C)CC(N=C=O)CC(C)(C)C3)C1=O)C4(C)CC(N=C=O)CC(C)(C)C4

Canonical SMILES

O=C=NC1CC(C)(C)CC(C)(CN2C(=O)N(C(=O)N(C2=O)CC3(C)CC(N=C=O)CC(C)(C)C3)CC4(C)CC(N=C=O)CC(C)(C)C4)C1

Other Names for this Substance

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-
  • 1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
  • Isocyanurate-based IPDI trimer
  • Isocyanurate-based isophorone diisocyanate trimer