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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
Names and Synonyms:
Disperse Red 11
9,10-Anthracenedione, 1,4-diamino-2-methoxy-
Anthraquinone, 1,4-diamino-2-methoxy-
1,4-Diamino-2-methoxy-9,10-anthracenedione
C.I. 62015
Acetate Fast Pink 3B
Amacel Cerise B
Artisil Brilliant Rose 5BP
Celanthrene Fast Pink 3B
Celliton Fast Pink FF 3B
Celliton Fast Pink FF 3BA-CF
Celliton Rose FF 3B
Cibacet Brilliant Pink 4BN
Cilla Fast Pink FF 3B
C.I. Solvent Violet 26
Fenacet Fast Pink 3BE
Interchem Acetate Pink 3B
Miketon Fast Pink FF 3B
Nacelan Pink 3B
Palanil Violet 6R
Perliton Red Violet FFB
Samaron Red Violet F 3B
Seriplas Red X 3B
Setacyl Red P 3B
Supracet Fast Pink 3B
Terasil Brilliant Pink 4BN
C.I. Disperse Red 11
Duranol Red X 3B
1,4-Diamino-2-methoxyanthraquinone
Disperse Brilliant Pink
Serisol Brilliant Red X 3B
1,4-Diamino-2-methoxyanthroquinone
Disperse Red 11
Solvent Violet 26
Dispersol Red B 3B
Disperse Brilliant Rose
Celliton Pink FF 3B
Navilene Violet 6R
Serisol Brilliant Red X 3B200
Foron Brilliant Pink E 5BPW
NSC 81266
Akasperse Pink 5B
1,4-Diamino-2-methoxy-9,10-dihydroanthracene-9,10-dione
Identifiers:
SMILES:
COc1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O
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
Key Properties
Melting Point
242 °C
CAS Common Chemistry
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 | 268.27 g/mol | CAS Common Chemistry |
| 268.272 g/mol | RDKit | |
| 268.084792244 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 | RDKit |
