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Cyanox 1790
CAS: 40601-76-1 | C42H57N3O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
40601-76-1
Molecular Formula:
C42H57N3O6
Molecular Mass:
699.93 g/mol
Names and Synonyms:
Cyanox 1790
Cyanox CY 1790
Antioxidant 1970
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-
1,3,5-Tris[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-s-triazine-2,4,6-(1H,3H,5H)-trione
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
Cyanox 1790
Cyanox 1970
Tris(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl) isocyanurate
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate
1,3,5-Tris(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl) isocyanurate
1,3,5-Tris(2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate
Cynomix 1790
1,3,5-Tris(2,6-dimethyl-3-hydroxy-4-tert-butylbenzyl) isocyanurate
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanuric acid
AO 1790
ADK-ARKLS DH 48
Irganox 3790
Lowinox 1790
1,3,5-Tris[(4-tert-butyl-3-hydroxy-2,6-xylyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Antioxidant 1790
Tris(3-hydroxy-4-tert-butyl-2,6-dimethylbenzyl) isocyanurate
DN 90
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylphenylmethyl)-1,3,5-triazine-2,4,6-(1H,3H,5H)trione
CY 1790
Songnox 1790
Thanox 1790
Antioxidant CY
CN 1790
1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-trione
Tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazine-2,4,6-trione
Irganox 1790
Chinox 1790
TS 274
Identifiers:
SMILES:
Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O
InChI:
InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 699.93 g/mol | CAS Common Chemistry |
| 699.9330000000002 g/mol | RDKit | |
| 699.4247365440001 g/mol | RDKit | |
| Canonical SMILES | O=C1N(C(=O)N(C(=O)N1CC2=C(C=C(C(O)=C2C)C(C)(C)C)C)CC3=C(C=C(C(O)=C3C)C(C)(C)C)C)CC4=C(C=C(C(O)=C4C)C(C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XYXJKPCGSGVSBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyanox 1790 | CAS Common Chemistry |
| Heavy Atom Count | 51 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 126.69000000000003 Ų | RDKit |
| LogP | 7.176420000000011 | RDKit |
| Molar Refractivity | 205.37039999999934 | RDKit |
