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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
2-oxo-N-(3,3,5-trimethyl-5-{[2,4,6-trioxo-3,5-bis({1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl}methyl)-1,3,5-triazinan-1-yl]methyl}cyclohexyl)azepane-1-carboxamide; 2-oxo-N-(3,3,5-trimethyl-5-{[2,4,6-trioxo-3-({1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl}methyl)-5-({1,3,3-trimethyl-5-[2,4,6-trioxo-3,5-bis(3,3,5-trimethyl-5-{[(2-oxoazepane-1-carbonyl)amino]methyl}cyclohexyl)-1,3,5-triazinan-1-yl]cyclohexyl}methyl)-1,3,5-triazinan-1-yl]methyl}cyclohexyl)azepane-1-carboxamide

Inventory

CAS number:
127184-53-6
Synonyms
Names:
Copolymer of caprolactam and isophorone diisocyanate
Homopolymer (isocyanurate type) of 3-isocyanatomethyl-3,5,5-trimethyl cyclohexyl isocyanate, caprolactam blocked
Identifier:
IUPAC name
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate homopolymer, isocyanurate type, caprolactam-blocked
Identifier:
other: Molecular formula
>= C54H87N9O9 (IPDI-Isocyanurate n=3, caprolactam-blocked)
Identifier:
other: SMILES notation
Not applicable (UVCB substance)
Identifier:
other: InChl
Not applicable (UVCB substance)
Copolymer of hexahydro-2H-azepin-2-one and 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate

Molecular and structural information

Molecular formula:
Exact identification is not feasible
Molecular weight:
>= 113.16
SMILES notation:
Example: O=C1N(CC2(C)CC(C)(C)CC(C2)NC(=O)N3CCCCCC3=O)C(=O)N(CC4(C)CC(C)(C)CC(C4)NC(=O)N5CCCCCC5=O)C(=O)N1CC6(C)CC(C)(C)CC(C6)NC(=O)N7CCCCCC7=O
InChl:
Example: InChI=1S/C54H87N9O9/c1-49(2)25-37(55-43(67)58-22-16-10-13-19-40(58)64)28-52(7,31-49)34-61-46(70)62(35-53(8)29-38(26-50(3,4)32-53)56-44(68)59-23-17-11-14-20-41(59)65)48(72)63(47(61)71)36-54(9)30-39(27-51(5,6)33-54)57-45(69)60-24-18-12-15-21-42(60)66/h37-39H,10-36H2,1-9H3,(H,55,67)(H,56,68)(H,57,69)
Structural formula:
Chemical structure

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