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Molecule
2-[4,6-Bis(2,4-Dimethylphenyl)-1,3,5-Triazin-2-Yl]-5-[3-[(2-Ethylhexyl)Oxy]-2-Hydroxypropoxy]Phenol
CAS: 137658-79-8 · C36H45N3O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 137658-79-8
- Molecular Formula
- C36H45N3O4
- Molecular Mass
- 583.77 g/mol
Identifiers
CAS Registry Number
137658-79-8
SMILES
CCCCC(CC)COCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1
InChI Key
WYLMGXULBMHUDT-UHFFFAOYSA-N
InChI
InChI=1S/C36H45N3O4/c1-7-9-10-27(8-2)20-42-21-28(40)22-43-29-13-16-32(33(41)19-29)36-38-34(30-14-11-23(3)17-25(30)5)37-35(39-36)31-15-12-24(4)18-26(31)6/h11-19,27-28,40-41H,7-10,20-22H2,1-6H3
Names and Synonyms
- 2-[4,6-Bis(2,4-Dimethylphenyl)-1,3,5-Triazin-2-Yl]-5-[3-[(2-Ethylhexyl)Oxy]-2-Hydroxypropoxy]Phenol Synonym
- Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]- Synonym
- 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]phenol Synonym
- 2-[2-Hydroxy-4-[3-(2-ethylhexyl-1-oxy)-2-hydroxypropyloxy]phenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine Synonym
- Tinuvin 405 Synonym
- 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[2-hydroxy-3-(2-ethylhexyloxy)propoxy]phenol Synonym
- 2-[4-[[2-Hydroxy-3-(2′-ethyl)hexyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine Synonym
- 4,6-Bis(2,4-dimethylphenyl)-2-(2-hydroxy-4-(3-(2-ethylhexyloxy)-2-hydroxypropoxy)phenyl)-s-triazine Synonym
- UV 405 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 583.77 g/mol | CAS Common Chemistry |
| 583.7730000000003 g/mol | RDKit | |
| 583.773 g/mol | RDKit | |
| Canonical SMILES | OC=1C=C(OCC(O)COCC(CC)CCCC)C=CC1C=2N=C(N=C(N2)C=3C=CC(=CC3C)C)C=4C=CC(=CC4C)C | CAS Common Chemistry |
| InChI | InChI=1S/C36H45N3O4/c1-7-9-10-27(8-2)20-42-21-28(40)22-43-29-13-16-32(33(41)19-29)36-38-34(30-14-11-23(3)17-25(30)5)37-35(39-36)31-15-12-24(4)18-26(31)6/h11-19,27-28,40-41H,7-10,20-22H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WYLMGXULBMHUDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]phenol | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 97.59 Ų | RDKit |
| 96.0 Ų | chempirical lib | |
| LogP | 7.78458000000001 | RDKit |
| 7.7846 | RDKit | |
| Molar Refractivity | 172.3745999999995 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4167 | RDKit |
| 0.42 | chempirical lib | |
| Exact Mass | 583.34100692 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 583.77 g/mol. Edit any field — others recompute live.
