| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM1668537-1 |
| Product Name | 4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-benzenediol |
| CAS | 1668-53-7 |
| Structure |  |
| Synonyms | 4-[4,6-Bis(2,4-dimethylphenyl)-5H-s-triazin-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one |
| IUPAC Name | 4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol |
| Molecular Weight | 397.5 |
| Molecular Formula | C25H23N3O2 |
| Canonical SMILES | CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)C)C)C |
| InChI | InChI=1S/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3 |
| InChIKey | FROCQMFXPIROOK-UHFFFAOYSA-N |
| Boiling Point | 659.1±65.0 °C |
| Melting Point | 203.0-207.0 °C |
| Purity | 98%+ |
| Complexity | 527 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.17902698 |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 397.17902698 |
| Physical State | Solid |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.1 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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