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2-(2-Hydroxy-3-Dodecyl-5-Methylphenyl)Benzotriazole
CAS: 23328-53-2 | C25H35N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23328-53-2
Molecular Formula:
C25H35N3O
Molecular Mass:
393.58 g/mol
Names and Synonyms:
2-(2-Hydroxy-3-Dodecyl-5-Methylphenyl)Benzotriazole
Phenol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-4-methyl-
p-Cresol, 2-(2H-benzotriazol-2-yl)-6-dodecyl-
2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol
2-(Benzotriazol-2-yl)-6-dodecyl-4-methylphenol
Tinuvin 571
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
Tinuvin 171
2-(3-Dodecyl-2-hydroxy-5-methylphenyl)benzotriazole
(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
2-(3′-Dodecyl-5′-methyl-2′-hydroxyphenyl)benzotriazole
Tinogard TL
2-(3′-Dodecyl-2′-hydroxy-5′-methylphenyl)benzotriazole
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)-2H-benzotriazole
UV 571
T 571
2-(3′-Dodecyl-5′-methyl-2′-hydroxyphenyl)benzotriazol
Benzotriazolyl dodecyl p-cresol
Identifiers:
SMILES:
CCCCCCCCCCCCc1cc(C)cc(-n2nc3ccccc3n2)c1O
InChI:
InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3
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 | 393.58 g/mol | CAS Common Chemistry |
| 393.57500000000005 g/mol | RDKit | |
| 393.27801274 g/mol | RDKit | |
| Canonical SMILES | OC=1C(=CC(=CC1CCCCCCCCCCCC)C)N2N=C3C=CC=CC3=N2 | CAS Common Chemistry |
| InChI | InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VQMHSKWEJGIXGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 50.94 Ų | RDKit |
| LogP | 6.897920000000008 | RDKit |
| Molar Refractivity | 120.81480000000006 | RDKit |
