Back to Search
Basic Yellow 28
CAS: 54060-92-3 | C21H27N3O5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54060-92-3
Molecular Formula:
C21H27N3O5S
Molecular Mass:
433.53 g/mol
Names and Synonyms:
Basic Yellow 28
3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, methyl sulfate (1:1)
3H-Indolium, 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, methyl sulfate
C.I. Basic Yellow 28
Astrazon Golden Yellow GL
Maxilon Golden Yellow GL
Crypur Golden Yellow GL
Sandocryl Golden Yellow B-GRL
Kayacryl Golden Yellow GL-ED
Yoracryl Yellow RL
Basic Yellow 28
Diacryl Golden Yellow GL-N
Basacryl Golden Yellow X-GFL
Astrazon Golden Yellow GL-E
Astrazon Golden Yellow GL-FW
Cationic Golden Yellow X-GL
Basacryl Golden Yellow FD-X-GFL
Coracryl Golden Yellow CGL
Viocryl Yellow AGL
Viocryl Yellow AGL 200
Maxilon Golden Yellow RL
Golden Yellow X-GL
Maxilon Golden Yellow GL Pearls
Sandocryl Golden Yellow C-GL
Rifa Cationic G/Yellow GL 200L
Cationic Golden Yellow SD-GL
Astrazon Golden Yellow GL-E 200
Lanaset Yellow 28
Cationic Gold Yellow
Identifiers:
SMILES:
COS(=O)(=O)[O-].COc1ccc([N+](C)=NC=C2N(C)c3ccccc3C2(C)C)cc1
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
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 | 433.53 g/mol | CAS Common Chemistry |
| 433.5300000000002 g/mol | RDKit | |
| 433.16714196400005 g/mol | RDKit | |
| 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 |
| LogP | 3.7832000000000034 | RDKit |
| Molar Refractivity | 113.92660000000004 | RDKit |
