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Molecule
Cyanox 1790
CAS: 40601-76-1 · C42H57N3O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 40601-76-1
- Molecular Formula
- C42H57N3O6
- Molecular Mass
- 699.93 g/mol
Identifiers
CAS Registry Number
40601-76-1
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 Key
XYXJKPCGSGVSBO-UHFFFAOYSA-N
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
Names and Synonyms
- Cyanox 1790 Common Name
- Cyanox CY 1790 Synonym
- Antioxidant 1970 Synonym
- 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]- Synonym
- 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 Synonym
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-s-triazine-2,4,6-(1H,3H,5H)-trione Synonym
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate Synonym
- Cyanox 1790 Synonym
- Cyanox 1970 Synonym
- Tris(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl) isocyanurate Synonym
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl) isocyanurate Synonym
- 1,3,5-Tris(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl) isocyanurate Synonym
- 1,3,5-Tris(2,6-dimethyl-4-tert-butyl-3-hydroxybenzyl) isocyanurate Synonym
- Cynomix 1790 Synonym
- 1,3,5-Tris(2,6-dimethyl-3-hydroxy-4-tert-butylbenzyl) isocyanurate Synonym
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)isocyanuric acid Synonym
- AO 1790 Synonym
- ADK-ARKLS DH 48 Synonym
- Irganox 3790 Synonym
- Lowinox 1790 Synonym
- 1,3,5-Tris[(4-tert-butyl-3-hydroxy-2,6-xylyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- 1,3,5-Tri(4-tert-butyl-2,6-dimethyl-3-hydroxybenzyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione Synonym
- Antioxidant 1790 Synonym
- Tris(3-hydroxy-4-tert-butyl-2,6-dimethylbenzyl) isocyanurate Synonym
- DN 90 Synonym
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylphenylmethyl)-1,3,5-triazine-2,4,6-(1H,3H,5H)trione Synonym
- CY 1790 Synonym
- Songnox 1790 Synonym
- Thanox 1790 Synonym
- Antioxidant CY Synonym
- CN 1790 Synonym
- 1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazine-2,4,6-trione Synonym
- Tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazine-2,4,6-trione Synonym
- Irganox 1790 Synonym
- Chinox 1790 Synonym
- TS 274 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 699.93 g/mol | CAS Common Chemistry |
| 699.9330000000002 g/mol | RDKit | |
| 699.933 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 |
| 6 | RDKit | |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 126.69000000000003 Ų | RDKit |
| 126.69 Ų | RDKit | |
| LogP | 7.176420000000011 | RDKit |
| 7.1764 | RDKit | |
| Molar Refractivity | 205.37039999999934 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 699.4247365440001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 699.93 g/mol. Edit any field — others recompute live.
