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Molecule
2-(3-Sec-Butyl-5-Tert-Butyl-2-Hydroxyphenyl)Benzotriazole
CAS: 36437-37-3 · C20H25N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 36437-37-3
- Molecular Formula
- C20H25N3O
- Molecular Mass
- 323.44 g/mol
Identifiers
CAS Registry Number
36437-37-3
SMILES
CCC(C)c1cc(C(C)(C)C)cc(-n2nc3ccccc3n2)c1O
InChI Key
RTNVDKBRTXEWQE-UHFFFAOYSA-N
InChI
InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3
Names and Synonyms
- 2-(3-Sec-Butyl-5-Tert-Butyl-2-Hydroxyphenyl)Benzotriazole Systematic Name
- Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-6-(1-methylpropyl)- Synonym
- 2-(2H-Benzotriazol-2-yl)-4-(1,1-dimethylethyl)-6-(1-methylpropyl)phenol Synonym
- 2-(3-sec-Butyl-5-tert-butyl-2-hydroxyphenyl)benzotriazole Synonym
- 4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol Synonym
- 2-(3′-sec-Butyl-5′-tert-butyl-2′-hydroxyphenyl)benzotriazole Synonym
- 2-(2-Hydroxy-3-sec-butyl-5-tert-butylphenyl) benzotriazole Synonym
- Eversorb 79 Synonym
- 2-(2-Hydroxy-3-sec-butyl-5-tert-butylphenyl)-2H-benzotriazole Synonym
- 2-(2H-Benzotriazol-2-yl)-4-(tert-butyl)-6-(sec-butyl)phenol Synonym
- Chisorb 350 Synonym
- 2-(Benzotriazol-2-yl)-6-butan-2-yl-4-tert-butylphenol Synonym
- UV 350 Synonym
- Chisorb 325 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 | OC=1C(=CC(=CC1C(C)CC)C(C)(C)C)N2N=C3C=CC=CC3=N2 | CAS Common Chemistry |
| InChI | InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RTNVDKBRTXEWQE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81-83 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-(3-sec-Butyl-5-tert-butyl-2-hydroxyphenyl)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 | 4.9371000000000045 | RDKit |
| 4.9371 | RDKit | |
| Molar Refractivity | 97.93580000000006 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...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 323.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H25N3O.
