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Substance Name: Tris((3-isocyanato-1,5,5-trimethylcyclohexyl)methyl)isocyanurate
RN: 67873-91-0
UNII: 1KJF175YD7
InChIKey: BPRIYMTXVBEDNJ-UHFFFAOYSA-N

Molecular Formula

  • C36-H54-N6-O6

Molecular Weight

  • 666.859
 
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Names and Synonyms

Name of Substance

  • Tris((3-isocyanato-1,5,5-trimethylcyclohexyl)methyl)isocyanurate

Synonyms

  • EINECS 267-445-2
  • N,N',N''-Tris(5-isocyanato-1,3,3-trimethylcyclohexylmethyl)-2,4,6-triketohexahydrotriazine
  • UNII-1KJF175YD7

Systematic Names

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris((5-isocyanato-1,3,3-trimethylcyclohexyl)methyl)-
  • 3,3',3''-((1H,3H,5H)-2,4,6-Trioxo-1,3,5-triazine-1,3,5-triyltris(methylene))tris(3,5,5-trimethylcyclohexyl) triisocyanate

Registry Numbers

CAS Registry Number

  • 67873-91-0

FDA UNII

  • 1KJF175YD7

System Generated Number

  • 0067873910

Structure Descriptors

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

BPRIYMTXVBEDNJ-UHFFFAOYSA-N

Smiles

O=c1n(c(=O)n(c(=O)n1C[C@@]1(C[C@@H](N=C=O)CC(C)(C)C1)C)C[C@@]1(C[C@@H](N=C=O)CC(C)(C)C1)C)C[C@@]1(C[C@@H](N=C=O)CC(C)(C)C1)C