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2-(2-Hydroxy-5-Tert-Octylphenyl)Benzotriazole
CAS: 123307-21-1 | C20H25N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 123307-21-1
- Molecular Formula
- C20H25N3O
- Molecular Mass
- 323.44 g/mol
Identifiers
CAS Registry Number
123307-21-1
SMILES
CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChI Key
IYAZLDLPUNDVAG-UHFFFAOYSA-N
InChI
InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3
Names and Synonyms
- 2-(2-Hydroxy-5-Tert-Octylphenyl)Benzotriazole Systematic Name
- Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)- Synonym
- 2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol Synonym
- 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole Synonym
- Cyasorb UV 5411 Synonym
- Octrizole Synonym
- Cyasorb 5411 Synonym
- 2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole Synonym
- Spectra-Sorb UV 5411 Synonym
- 2-Benzotriazolyl-4-tert-octylphenol Synonym
- Sumisorb 340 Synonym
- Viosorb 583 Synonym
- Tinuvin 329 Synonym
- 2-(2′-Hydroxy-5′-tert-octylphenyl)benzotriazole Synonym
- 2-(2′-Hydroxy-5′-tert-octylphenyl)benztriazole Synonym
- 2-(2-Hydroxy-5-t-octylphenyl)benzotriazole Synonym
- 2-[2′-Hydroxy-5′-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole Synonym
- Seesorb 709 Synonym
- 2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole Synonym
- 2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole Synonym
- 2-(5′-tert-Octyl-2′-hydroxyphenyl)benzotriazole Synonym
- UV 5411 Synonym
- Kemisorb 79 Synonym
- UV 329 Synonym
- Chisorb 5411 Synonym
- Uvinul 3029 Synonym
- Eversorb 72 Synonym
- JF 83 Synonym
- 2-(2H-Benzotriazol-2-yl)-4-tert-octylphenol Synonym
- 2-(2H-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol Synonym
- 1268A Synonym
- Seesorb 709G Synonym
- 2-(2H-Benzotriazole-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol Synonym
- BLS 5411 Synonym
- Fisorb 329 Synonym
- Biosoap 583 Synonym
- UVA 235 Synonym
- Songsorb 3290 Synonym
- LA 29 Synonym
- ADK Stab LA 29 Synonym
- UVA 5411 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 323.44 g/mol | CAS Common Chemistry |
| 323.44000000000005 g/mol | RDKit | |
| 324.448 g/mol | chempirical lib | |
| Canonical SMILES | OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C(C)(C)CC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IYAZLDLPUNDVAG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 104.0-105.2 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 4.839900000000005 | RDKit |
| 4.8399 | RDKit | |
| Molar Refractivity | 97.62780000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 323.19976242 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
Related
Related molecules
Other compounds with formula C20H25N3O.
