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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,6-hexamethylene dioisocyanate biuret and uretdion (n) oligomers reacted with units of Mercaptopropyltrimethoxysilane (m) (n+m) ≥ 4

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C44H80N10O11SSi
C50H96N10O14S2Si2
C59H106N14O14SSi
C65H122N14O17S2Si2
C22H40N4O7SSi
C28H56N4O10S2Si2
Molecular weight:
> 532.24 - < 1 490.81
SMILES notation:
O=C(N(CCCCCCN=C=O)C(NCCCCCCNC(N(CCCCCCN=C=O)C(NCCCCCCNC(SCCC[Si](OC)(OC)OC)=O)=O)=O)=O)NCCCCCCN=C=O
O=C(N(CCCCCCNC(SCCC[Si](OC)(OC)OC)=O)C(NCCCCCCNC(N(CCCCCCN=C=O)C(NCCCCCCNC(SCCC[Si](OC)(OC)OC)=O)=O)=O)=O)NCCCCCCN=C=O
O=C(N(CCCCCCN=C=O)C(NCCCCCCNC(N(CCCCCCN=C=O)C(NCCCCCCNC(N(CCCCCCNC(SCCC[Si](OC)(OC)OC)=O)C(NCCCCCCN=C=O)=O)=O)=O)=O)=O)NCCCCCCN=C=O
O=C(N(CCCCCCN=C=O)C(NCCCCCCNC(N(CCCCCCNC(SCCC[Si](OC)(OC)OC)=O)C(NCCCCCCNC(N(CCCCCCNC(SCCC[Si](OC)(OC)OC)=O)C(NCCCCCCN=C=O)=O)=O)=O)=O)=O)NCCCCCCN=C=O
O=C(SCCC[Si](OC)(OC)OC)NCCCCCCN1C(N(CCCCCCN=C=O)C1=O)=O
O=C(SCCC[Si](OC)(OC)OC)NCCCCCCN1C(N(CCCCCCNC(SCCC[Si](OC)(OC)OC)=O)C1=O)=O
InChl:
InChI=1S/C44H80N10O11SSi/c1-63-67(64-2,65-3)36-24-35-66-44(62)52-32-21-9-8-20-31-51-43(61)54(34-23-13-11-16-27-47-39-57)42(60)50-30-19-7-6-18-29-49-41(59)53(33-22-12-10-15-26-46-38-56)40(58)48-28-17-5-4-14-25-45-37-55/h4-36H2,1-3H3,(H,48,58)(H,49,59)(H,50,60)(H,51,61)(H,52,62)
InChI=1S/C50H96N10O14S2Si2/c1-69-77(70-2,71-3)41-27-39-75-49(67)57-35-23-12-11-22-34-56-47(65)59(37-25-15-13-18-30-52-44-62)46(64)54-32-20-9-10-21-33-55-48(66)60(45(63)53-31-19-8-7-17-29-51-43-61)38-26-16-14-24-36-58-50(68)76-40-28-42-78(72-4,73-5)74-6/h7-42H2,1-6H3,(H,53,63)(H,54,64)(H,55,66)(H,56,65)(H,57,67)(H,58,68)
InChI=1S/C59H106N14O14SSi/c1-85-89(86-2,87-3)48-32-47-88-59(84)70-43-28-14-17-31-46-73(54(79)65-38-23-7-5-19-34-61-50-75)58(83)69-42-27-11-10-26-41-68-57(82)72(45-30-16-13-21-36-63-52-77)56(81)67-40-25-9-8-24-39-66-55(80)71(44-29-15-12-20-35-62-51-76)53(78)64-37-22-6-4-18-33-60-49-74/h4-48H2,1-3H3,(H,64,78)(H,65,79)(H,66,80)(H,67,81)(H,68,82)(H,69,83)(H,70,84)
InChI=1S/C65H122N14O17S2Si2/c1-91-99(92-2,93-3)53-35-51-97-64(89)75-46-30-16-19-33-49-78(59(84)70-41-25-10-8-22-38-67-56-81)61(86)72-43-27-13-14-29-45-74-63(88)79(50-34-20-17-31-47-76-65(90)98-52-36-54-100(94-4,95-5)96-6)62(87)73-44-28-12-11-26-42-71-60(85)77(48-32-18-15-23-39-68-57-82)58(83)69-40-24-9-7-21-37-66-55-80/h7-54H2,1-6H3,(H,69,83)(H,70,84)(H,71,85)(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,76,90)
InChI=1S/C22H40N4O7SSi/c1-31-35(32-2,33-3)18-12-17-34-20(28)24-14-9-5-7-11-16-26-21(29)25(22(26)30)15-10-6-4-8-13-23-19-27/h4-18H2,1-3H3,(H,24,28)
InChI=1S/C28H56N4O10S2Si2/c1-37-45(38-2,39-3)23-15-21-43-25(33)29-17-11-7-9-13-19-31-27(35)32(28(31)36)20-14-10-8-12-18-30-26(34)44-22-16-24-46(40-4,41-5)42-6/h7-24H2,1-6H3,(H,29,33)(H,30,34)
Structural formula:
Chemical structure

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