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2-[4,6-Bis(2,4-Dimethylphenyl)-1,3,5-Triazin-2-Yl]-5-(Octyloxy)Phenol
CAS: 2725-22-6 | C33H39N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2725-22-6
Molecular Formula:
C33H39N3O2
Molecular Mass:
509.69 g/mol
Names and Synonyms:
2-[4,6-Bis(2,4-Dimethylphenyl)-1,3,5-Triazin-2-Yl]-5-(Octyloxy)Phenol
Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)-
Phenol, 2-(4,6-di-2,4-xylyl-s-triazin-2-yl)-5-(octyloxy)-
2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol
Cyasorb 1164
Cyasorb UV 1164
UV 1164
2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-octyloxyphenyl)-1,3,5-triazine
Tinuvin 1545
2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-octyloxyphenyl)-s-triazine
2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazine-2-yl)-5-octyloxyphenol
Cytec UV 1164
Cyagard UV 1164
2,6-Bis(2,4-dimethylphenyl)-4-(2-hydroxy-4-octyloxyphenyl)-s-triazine
2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-n-octyloxyphenyl)-1,3,5-triazine
2-(2-Hydroxy-4-octyloxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
Chiguard 1064
Triazine 425
UV 164
Eusorb UV 164
Kemisorb 102
Identifiers:
SMILES:
CCCCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1
InChI:
InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3
Key Properties
Melting Point
83.5-84.0 °C
CAS Common Chemistry
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 | 509.69 g/mol | CAS Common Chemistry |
| 509.6940000000003 g/mol | RDKit | |
| 509.30422748800004 g/mol | RDKit | |
| Canonical SMILES | OC=1C=C(OCCCCCCCC)C=CC1C=2N=C(N=C(N2)C=3C=CC(=CC3C)C)C=4C=CC(=CC4C)C | CAS Common Chemistry |
| InChI | InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZSSVCEUEVMALRD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83.5-84.0 °C | CAS Common Chemistry |
| Name | 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 68.13000000000001 Ų | RDKit |
| LogP | 8.551180000000006 | RDKit |
| Molar Refractivity | 155.61879999999968 | RDKit |
