Registration Dossier
Registration Dossier
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EC number: 931-312-3 | CAS number: 53880-05-0
Reference substances
- 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:
Related substances
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