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Details

Stereochemistry MIXED
Molecular Formula C36H54N6O6
Molecular Weight 666.8506
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 6
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of TRIS((3-ISOCYANATO-1,5,5-TRIMETHYLCYCLOHEXYL)METHYL)ISOCYANURATE

SMILES

CC1(C)CC(CC(C)(CN2C(=O)N(CC3(C)CC(CC(C)(C)C3)N=C=O)C(=O)N(CC4(C)CC(CC(C)(C)C4)N=C=O)C2=O)C1)N=C=O

InChI

InChIKey=BPRIYMTXVBEDNJ-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C36H54N6O6
Molecular Weight 666.8506
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 6
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:21:28 GMT 2023
Edited
by admin
on Sat Dec 16 05:21:28 GMT 2023
Record UNII
1KJF175YD7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIS((3-ISOCYANATO-1,5,5-TRIMETHYLCYCLOHEXYL)METHYL)ISOCYANURATE
Common Name English
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
Common Name English
1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE, 1,3,5-TRIS((5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL)-
Systematic Name English
N,N',N''-TRIS(5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXYLMETHYL)- 2,4,6-TRIKETOHEXAHYDROTRIAZINE
Common Name English
TRIS((3-ISOCYANATO-1,5,5-TRIMETHYLCYCLOHEXYL)METHYL) ISOCYANURATE
Common Name English
FREE ISOCYANTES OF ISOPHORONE DIISOCYNATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70867369
Created by admin on Sat Dec 16 05:21:28 GMT 2023 , Edited by admin on Sat Dec 16 05:21:28 GMT 2023
PRIMARY
PUBCHEM
106924
Created by admin on Sat Dec 16 05:21:28 GMT 2023 , Edited by admin on Sat Dec 16 05:21:28 GMT 2023
PRIMARY
FDA UNII
1KJF175YD7
Created by admin on Sat Dec 16 05:21:28 GMT 2023 , Edited by admin on Sat Dec 16 05:21:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-445-2
Created by admin on Sat Dec 16 05:21:28 GMT 2023 , Edited by admin on Sat Dec 16 05:21:28 GMT 2023
PRIMARY
CAS
67873-91-0
Created by admin on Sat Dec 16 05:21:28 GMT 2023 , Edited by admin on Sat Dec 16 05:21:28 GMT 2023
PRIMARY