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Molecule
2-(2H-Benzotriazol-2-Yl)-6-(1-Methyl-1-Phenylethyl)-4-(1,1,3,3-Tetramethylbutyl)Phenol
CAS: 73936-91-1 · C29H35N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 73936-91-1
- Molecular Formula
- C29H35N3O
- Molecular Mass
- 441.62 g/mol
Identifiers
CAS Registry Number
73936-91-1
SMILES
CC(C)(C)CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
InChI Key
UZUNCLSDTUBVCN-UHFFFAOYSA-N
InChI
InChI=1S/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3
Names and Synonyms
- 2-(2H-Benzotriazol-2-Yl)-6-(1-Methyl-1-Phenylethyl)-4-(1,1,3,3-Tetramethylbutyl)Phenol Synonym
- Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)- Synonym
- 2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol Synonym
- Tinuvin 928 Synonym
- 2-(2-Hydroxy-3-α-cumyl-5-tert-octylphenyl)-2H-benzotriazole Synonym
- 2-[2′-Hydroxy-3′-(α,α-dimethylbenzyl)-5′-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole Synonym
- 2-(1-Methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-(benzotriazol-2-yl)phenol Synonym
- 2-[2-Hydroxy-3-(α,α-dimethylbenzyl)-5-tert-octylphenyl]-2H-benzotriazole Synonym
- 2-[3-(α,α-Dimethylbenzyl)-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]-2H-benzotriazole Synonym
- Chisorb 5228 Synonym
- UV 928 Synonym
- 2-(Benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol Synonym
- BASF 928 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 441.62 g/mol | CAS Common Chemistry |
| 441.6190000000002 g/mol | RDKit | |
| 441.619 g/mol | RDKit | |
| 442.627 g/mol | chempirical lib | |
| Canonical SMILES | OC=1C(=CC(=CC1C(C=2C=CC=CC2)(C)C)C(C)(C)CC(C)(C)C)N3N=C4C=CC=CC4=N3 | CAS Common Chemistry |
| InChI | InChI=1S/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UZUNCLSDTUBVCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 7.165800000000008 | RDKit |
| 7.1658 | RDKit | |
| Molar Refractivity | 136.19779999999994 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3793 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 441.27801274 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 441.62 g/mol. Edit any field — others recompute live.
