Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with hexahydro-2H-azepin-2-one

Molecular and structural information

Molecular formula:
C84 H134 N14 O14
Molecular weight:
1 564.07
SMILES notation:
C1(=O)N(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)N7C(=O)N(C8CC(C)(C)CC(C8)(C)CNC(=O)N9CCCCCC9=O)C(=O)N(C7=O)(C1CC(C)(C)CC(C1)(C)CNC(=O)N2CCCCCC2=O)
InChl:
InChI=1S/C84H134N14O14/c1-75(2)36-56(87-67(105)91-34-26-18-22-30-63(91)101)38-82(13,48-75)53-93-69(107)94(54-83(14)39-57(37-76(3,4)49-83)88-68(106)92-35-27-19-23-31-64(92)102)71(109)95(70(93)108)55-84(15)45-60(42-79(9,10)50-84)98-73(111)96(58-40-77(5,6)46-80(11,43-58)51-85-65(103)89-32-24-16-20-28-61(89)99)72(110)97(74(98)112)59-41-78(7,8)47-81(12,44-59)52-86-66(104)90-33-25-17-21-29-62(90)100/h56-60H,16-55H2,1-15H3,(H,85,103)(H,86,104)(H,87,105)(H,88,106)
Structural formula:
Chemical structure