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Reference substances

Currently viewing:
IUPAC name:
1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione

Inventory

EC number:
267-445-2
EC name:
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
CAS number:
67873-91-0
CAS number:
67873-91-0
Synonyms
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
Isophorone diisocyanate trimer
N,N',N''-Tris(5-isocyanato-1,3,3-trimethylcyclohexylmethyl)-2,4,6-triketohexahydrotriazine
Identifier:
other: SMILES notation
CC1(CC(CC(C1)(C)Cn2c(=O)n(c(=O)n(c2=O)CC3(CC(CC(C3)(C)C)N=C=O)C)CC4(CC(CC(C4)(C)C)N=C=O)C)N=C=O)C
Identifier:
other: InChl
InChI=1/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

Molecular and structural information

Molecular formula:
C36H54N6O6
Molecular weight:
666.87
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
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
Structural formula:
Chemical structure

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