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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 Weight:
268.272 g/mol
Names and Synonyms:
Disperse Red 11
Common Name
1,4-Diamino-2-methoxy-9,10-dihydroanthracene-9,10-dione
Synonym
Akasperse Pink 5B
Synonym
NSC 81266
Synonym
Foron Brilliant Pink E 5BPW
Synonym
Serisol Brilliant Red X 3B200
Synonym
Navilene Violet 6R
Synonym
Celliton Pink FF 3B
Synonym
Disperse Brilliant Rose
Synonym
Dispersol Red B 3B
Synonym
Solvent Violet 26
Synonym
Disperse Red 11
Synonym
1,4-Diamino-2-methoxyanthroquinone
Synonym
Serisol Brilliant Red X 3B
Synonym
Disperse Brilliant Pink
Synonym
1,4-Diamino-2-methoxyanthraquinone
Synonym
Duranol Red X 3B
Synonym
C.I. Disperse Red 11
Synonym
Terasil Brilliant Pink 4BN
Synonym
Supracet Fast Pink 3B
Synonym
Setacyl Red P 3B
Synonym
Seriplas Red X 3B
Synonym
Samaron Red Violet F 3B
Synonym
Perliton Red Violet FFB
Synonym
Palanil Violet 6R
Synonym
Nacelan Pink 3B
Synonym
Miketon Fast Pink FF 3B
Synonym
Interchem Acetate Pink 3B
Synonym
Fenacet Fast Pink 3BE
Synonym
C.I. Solvent Violet 26
Synonym
Cilla Fast Pink FF 3B
Synonym
Cibacet Brilliant Pink 4BN
Synonym
Celliton Rose FF 3B
Synonym
Celliton Fast Pink FF 3BA-CF
Synonym
Celliton Fast Pink FF 3B
Synonym
Celanthrene Fast Pink 3B
Synonym
Artisil Brilliant Rose 5BP
Synonym
Amacel Cerise B
Synonym
Acetate Fast Pink 3B
Synonym
C.I. 62015
Synonym
1,4-Diamino-2-methoxy-9,10-anthracenedione
Synonym
Anthraquinone, 1,4-diamino-2-methoxy-
Synonym
9,10-Anthracenedione, 1,4-diamino-2-methoxy-
Synonym
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 268.27 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Disperse_Red_11 None | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C=3C(N)=C(OC)C=C(N)C13 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=TUXJTJITXCHUEL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 242 °C None | Legacy Database |
| cas-name | Disperse Red 11 None | Legacy Database |
| wikipedia-name | Disperse Red 11 None | Legacy Database |
| LogP | 1.635 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 268.272 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 268.084792244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 95.41 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 75.12580000000001 | RDKit |