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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 Weight:
323.44000000000005 g/mol
Names and Synonyms:
2-(2-Hydroxy-5-Tert-Octylphenyl)Benzotriazole
UVA 5411
ADK Stab LA 29
LA 29
Songsorb 3290
UVA 235
Biosoap 583
Fisorb 329
BLS 5411
2-(2H-Benzotriazole-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
Seesorb 709G
1268A
2-(2H-Benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
2-(2H-Benzotriazol-2-yl)-4-tert-octylphenol
JF 83
Eversorb 72
Uvinul 3029
Chisorb 5411
UV 329
Kemisorb 79
UV 5411
2-(5′-tert-Octyl-2′-hydroxyphenyl)benzotriazole
2-(2-Hydroxy-5-t-octylphenyl)-2H-benzotriazole
2-(5-t-Octyl-2-hydroxyphenyl)benzotriazole
Seesorb 709
2-[2′-Hydroxy-5′-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole
2-(2-Hydroxy-5-t-octylphenyl)benzotriazole
2-(2′-Hydroxy-5′-tert-octylphenyl)benztriazole
2-(2′-Hydroxy-5′-tert-octylphenyl)benzotriazole
Tinuvin 329
Viosorb 583
Sumisorb 340
2-Benzotriazolyl-4-tert-octylphenol
Spectra-Sorb UV 5411
2-(2-Hydroxy-5-tert-octylphenyl)-2H-benzotriazole
Cyasorb 5411
Octrizole
Cyasorb UV 5411
2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole
2-(2H-Benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)-
Identifiers:
SMILES:
CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 323.44 g/mol | Legacy Database |
| cas-canonical-smile | OC1=CC=C(C=C1N2N=C3C=CC=CC3=N2)C(C)(C)CC(C)(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=IYAZLDLPUNDVAG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 104.0-105.2 °C @ Solvent: Methanol None | Legacy Database |
| cas-name | 2-(2-Hydroxy-5-tert-octylphenyl)benzotriazole None | Legacy Database |
| LogP | 4.839900000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 323.44000000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 323.19976242 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 50.94 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 97.62780000000005 | RDKit |
