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IUPAC name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=3, blocked with 2-propanone oxime

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Synonyms

Molecular and structural information

Molecular formula:
C45 H75 N9 O9
Molecular weight:
886.15
SMILES notation:
4 structural isomers due to asymmetry of N=C=O functions in the monomer:
AAA: C1(=O)N(CC2(C)CC(C)(C)CC(C2)NC(=O)ON=C(C)C)C(=O)N(CC3(C)CC(C)(C)CC(C3)NC(=O)ON=C(C)C)C(=O)N1(CC4(C)CC(C)(C)CC(C4)NC(=O)ON=C(C)C)
AAB: C1(=O)N(CC2(C)CC(C)(C)CC(C2)NC(=O)ON=C(C)C)C(=O)N(CC2(C)CC(C)(C)CC(C2)NC(=O)ON=C(C)C)C(=O)N1(C2CC(C)(C)CC(C2)(C)CNC(=O)ON=C(C)C)
ABB: C1(=O)N(CC2(C)CC(C)(C)CC(C2)NC(=O)ON=C(C)C)C(=O)N(C2CC(C)(C)CC(C2)(C)CNC(=O)ON=C(C)C)C(=O)N1(C2CC(C)(C)CC(C2)(C)CNC(=O)ON=C(C)C)
BBB: C1(=O)N(C2CC(C)(C)CC(C2)(C)CNC(=O)ON=C(C)C)C(=O)N(C2CC(C)(C)CC(C2)(C)CNC(=O)ON=C(C)C)C(=O)N1(C2CC(C)(C)CC(C2)(C)CNC(=O)ON=C(C)C)
InChl:
AAA: InChI=1S/C45H75N9O9/c1-28(2)49-61-34(55)46-31-16-40(7,8)22-43(13,19-31)25-52-37(58)53(26-44(14)20-32(17-41(9,10)23-44)47-35(56)62-50-29(3)4)39(60)54(38(52)59)27-45(15)21-33(18-42(11,12)24-45)48-36(57)63-51-30(5)6/h31-33H,16-27H2,1-15H3,(H,46,55)(H,47,56)(H,48,57)
AAB: InChI=1S/C45H75N9O9/c1-28(2)49-61-34(55)46-25-43(13)21-33(20-42(11,12)22-43)54-38(59)52(26-44(14)18-31(16-40(7,8)23-44)47-35(56)62-50-29(3)4)37(58)53(39(54)60)27-45(15)19-32(17-41(9,10)24-45)48-36(57)63-51-30(5)6/h31-33H,16-27H2,1-15H3,(H,46,55)(H,47,56)(H,48,57)
ABB: InChI=1S/C45H75N9O9/c1-28(2)49-61-34(55)46-25-43(13)20-32(18-41(9,10)22-43)53-37(58)52(27-45(15)17-31(16-40(7,8)24-45)48-36(57)63-51-30(5)6)38(59)54(39(53)60)33-19-42(11,12)23-44(14,21-33)26-47-35(56)62-50-29(3)4/h31-33H,16-27H2,1-15H3,(H,46,55)(H,47,56)(H,48,57)
BBB: InChI=1S/C45H75N9O9/c1-28(2)49-61-34(55)46-25-43(13)19-31(16-40(7,8)22-43)52-37(58)53(32-17-41(9,10)23-44(14,20-32)26-47-35(56)62-50-29(3)4)39(60)54(38(52)59)33-18-42(11,12)24-45(15,21-33)27-48-36(57)63-51-30(5)6/h31-33H,16-27H2,1-15H3,(H,46,55)(H,47,56)(H,48,57)
Structural formula:
Chemical structure

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