TRIS((3-ISOCYANATO-1,5,5-TRIMETHYLCYCLOHEXYL)METHYL)ISOCYANURATE

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

Structure Search

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 `Mon Mar 31 21:29:12 GMT 2025` Edited by `admin` on `Mon Mar 31 21:29:12 GMT 2025`
Record UNII	1KJF175YD7
Record Status	`Validated (UNII)`
Record Version

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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

Preferred 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