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Molecule
Basic Yellow 28
CAS: 54060-92-3 · C21H27N3O5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 54060-92-3
- Molecular Formula
- C21H27N3O5S
- Molecular Mass
- 433.53 g/mol
Identifiers
CAS Registry Number
54060-92-3
SMILES
COS(=O)(=O)[O-].COc1ccc([N+](C)=NC=C2N(C)c3ccccc3C2(C)C)cc1
InChI Key
SPWPAFQLIZTXFN-UHFFFAOYSA-M
InChI
InChI=1S/C20H24N3O.CH4O4S/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
Names and Synonyms
- Basic Yellow 28 Common Name
- 3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, methyl sulfate (1:1) Synonym
- 3H-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, methyl sulfate Synonym
- C.I. Basic Yellow 28 Synonym
- Astrazon Golden Yellow GL Synonym
- Maxilon Golden Yellow GL Synonym
- Crypur Golden Yellow GL Synonym
- Sandocryl Golden Yellow B-GRL Synonym
- Kayacryl Golden Yellow GL-ED Synonym
- Yoracryl Yellow RL Synonym
- Basic Yellow 28 Synonym
- Diacryl Golden Yellow GL-N Synonym
- Basacryl Golden Yellow X-GFL Synonym
- Astrazon Golden Yellow GL-E Synonym
- Astrazon Golden Yellow GL-FW Synonym
- Cationic Golden Yellow X-GL Synonym
- Basacryl Golden Yellow FD-X-GFL Synonym
- Coracryl Golden Yellow CGL Synonym
- Viocryl Yellow AGL Synonym
- Viocryl Yellow AGL 200 Synonym
- Maxilon Golden Yellow RL Synonym
- Golden Yellow X-GL Synonym
- Maxilon Golden Yellow GL Pearls Synonym
- Sandocryl Golden Yellow C-GL Synonym
- Rifa Cationic G/Yellow GL 200L Synonym
- Cationic Golden Yellow SD-GL Synonym
- Astrazon Golden Yellow GL-E 200 Synonym
- Lanaset Yellow 28 Synonym
- Cationic Gold Yellow Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 433.53 g/mol | CAS Common Chemistry |
| 433.5300000000002 g/mol | RDKit | |
| 433.523 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)([O-])OC.N(=CC1=[N+](C=2C=CC=CC2C1(C)C)C)N(C3=CC=C(OC)C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H24N3O.CH4O4S/c1-20(2)17-8-6-7-9-18(17)22(3)19(20)14-21-23(4)15-10-12-16(24-5)13-11-15;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=SPWPAFQLIZTXFN-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Basic Yellow 28 | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 94.27000000000001 Ų | RDKit |
| 94.27 Ų | RDKit | |
| LogP | 3.7832000000000034 | RDKit |
| 3.7832 | RDKit | |
| Molar Refractivity | 113.92660000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 433.16714196400005 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
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 = 433.53 g/mol. Edit any field — others recompute live.
