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Disperse Red 11
CAS: 2872-48-2 | C15H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2872-48-2
- Molecular Formula
- C15H12N2O3
- Molecular Mass
- 268.27 g/mol
Identifiers
CAS Registry Number
2872-48-2
SMILES
COc1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O
InChI Key
TUXJTJITXCHUEL-UHFFFAOYSA-N
InChI
InChI=1S/C15H12N2O3/c1-20-10-6-9(16)11-12(13(10)17)15(19)8-5-3-2-4-7(8)14(11)18/h2-6H,16-17H2,1H3
Names and Synonyms
- Disperse Red 11 Common Name
- 9,10-Anthracenedione, 1,4-diamino-2-methoxy- Synonym
- Anthraquinone, 1,4-diamino-2-methoxy- Synonym
- 1,4-Diamino-2-methoxy-9,10-anthracenedione Synonym
- C.I. 62015 Synonym
- Acetate Fast Pink 3B Synonym
- Amacel Cerise B Synonym
- Artisil Brilliant Rose 5BP Synonym
- Celanthrene Fast Pink 3B Synonym
- Celliton Fast Pink FF 3B Synonym
- Celliton Fast Pink FF 3BA-CF Synonym
- Celliton Rose FF 3B Synonym
- Cibacet Brilliant Pink 4BN Synonym
- Cilla Fast Pink FF 3B Synonym
- C.I. Solvent Violet 26 Synonym
- Fenacet Fast Pink 3BE Synonym
- Interchem Acetate Pink 3B Synonym
- Miketon Fast Pink FF 3B Synonym
- Nacelan Pink 3B Synonym
- Palanil Violet 6R Synonym
- Perliton Red Violet FFB Synonym
- Samaron Red Violet F 3B Synonym
- Seriplas Red X 3B Synonym
- Setacyl Red P 3B Synonym
- Supracet Fast Pink 3B Synonym
- Terasil Brilliant Pink 4BN Synonym
- C.I. Disperse Red 11 Synonym
- Duranol Red X 3B Synonym
- 1,4-Diamino-2-methoxyanthraquinone Synonym
- Disperse Brilliant Pink Synonym
- Serisol Brilliant Red X 3B Synonym
- 1,4-Diamino-2-methoxyanthroquinone Synonym
- Disperse Red 11 Synonym
- Solvent Violet 26 Synonym
- Dispersol Red B 3B Synonym
- Disperse Brilliant Rose Synonym
- Celliton Pink FF 3B Synonym
- Navilene Violet 6R Synonym
- Serisol Brilliant Red X 3B200 Synonym
- Foron Brilliant Pink E 5BPW Synonym
- NSC 81266 Synonym
- Akasperse Pink 5B Synonym
- 1,4-Diamino-2-methoxy-9,10-dihydroanthracene-9,10-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.27 g/mol | CAS Common Chemistry |
| 268.272 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Disperse_Red_11 | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(N)=C(OC)C=C(N)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C15H12N2O3/c1-20-10-6-9(16)11-12(13(10)17)15(19)8-5-3-2-4-7(8)14(11)18/h2-6H,16-17H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TUXJTJITXCHUEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 242 °C | CAS Common Chemistry |
| Name | Disperse Red 11 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 95.41 Ų | RDKit |
| LogP | 1.635 | RDKit |
| Molar Refractivity | 75.12580000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 268.084792244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
