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Molecule

2-[4,6-Bis(2,4-Dimethylphenyl)-1,3,5-Triazin-2-Yl]-5-(Octyloxy)Phenol

CAS: 2725-22-6 · C33H39N3O2

2D Structure

3D Structure

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Basic Information

CAS Registry Number
2725-22-6
Molecular Formula
C33H39N3O2
Molecular Mass
509.69 g/mol

Identifiers

CAS Registry Number

2725-22-6

SMILES

CCCCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

InChI Key

ZSSVCEUEVMALRD-UHFFFAOYSA-N

InChI

InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3

Names and Synonyms

  • 2-[4,6-Bis(2,4-Dimethylphenyl)-1,3,5-Triazin-2-Yl]-5-(Octyloxy)Phenol Systematic Name
  • Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)- Synonym
  • Phenol, 2-(4,6-di-2,4-xylyl-s-triazin-2-yl)-5-(octyloxy)- Synonym
  • 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol Synonym
  • Cyasorb 1164 Synonym
  • Cyasorb UV 1164 Synonym
  • UV 1164 Synonym
  • 2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-octyloxyphenyl)-1,3,5-triazine Synonym
  • Tinuvin 1545 Synonym
  • 2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-octyloxyphenyl)-s-triazine Synonym
  • 2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazine-2-yl)-5-octyloxyphenol Synonym
  • Cytec UV 1164 Synonym
  • Cyagard UV 1164 Synonym
  • 2,6-Bis(2,4-dimethylphenyl)-4-(2-hydroxy-4-octyloxyphenyl)-s-triazine Synonym
  • 2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-n-octyloxyphenyl)-1,3,5-triazine Synonym
  • 2-(2-Hydroxy-4-octyloxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine Synonym
  • Chiguard 1064 Synonym
  • Triazine 425 Synonym
  • UV 164 Synonym
  • Eusorb UV 164 Synonym
  • Kemisorb 102 Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 509.69 g/mol CAS Common Chemistry
509.6940000000003 g/mol RDKit
509.694 g/mol RDKit
Canonical SMILES OC=1C=C(OCCCCCCCC)C=CC1C=2N=C(N=C(N2)C=3C=CC(=CC3C)C)C=4C=CC(=CC4C)C CAS Common Chemistry
InChI InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3 CAS Common Chemistry
InChI Key InChIKey=ZSSVCEUEVMALRD-UHFFFAOYSA-N CAS Common Chemistry
Melting Point 83.5-84.0 °C CAS Common Chemistry
Name 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol CAS Common Chemistry
Heavy Atom Count 38 RDKit
Hydrogen Bond Acceptors 5 RDKit
Hydrogen Bond Donors 1 RDKit
Rotatable Bonds 11 RDKit
Aromatic Ring Count 4 RDKit
Topological Polar Surface Area 68.13000000000001 Ų RDKit
68.13 Ų RDKit
66.54 Ų chempirical lib
LogP 8.551180000000006 RDKit
8.5512 RDKit
Molar Refractivity 155.61879999999968 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.3636 RDKit
0.36 chempirical lib
Exact Mass 509.30422748800004 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

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 = 509.69 g/mol. Edit any field — others recompute live.

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