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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
1,4-Diamino-2-methoxy-9,10-dihydroanthracene-9,10-dione
Akasperse Pink 5B
NSC 81266
Foron Brilliant Pink E 5BPW
Serisol Brilliant Red X 3B200
Navilene Violet 6R
Celliton Pink FF 3B
Disperse Brilliant Rose
Dispersol Red B 3B
Solvent Violet 26
Disperse Red 11
1,4-Diamino-2-methoxyanthroquinone
Serisol Brilliant Red X 3B
Disperse Brilliant Pink
1,4-Diamino-2-methoxyanthraquinone
Duranol Red X 3B
C.I. Disperse Red 11
Terasil Brilliant Pink 4BN
Supracet Fast Pink 3B
Setacyl Red P 3B
Seriplas Red X 3B
Samaron Red Violet F 3B
Perliton Red Violet FFB
Palanil Violet 6R
Nacelan Pink 3B
Miketon Fast Pink FF 3B
Interchem Acetate Pink 3B
Fenacet Fast Pink 3BE
C.I. Solvent Violet 26
Cilla Fast Pink FF 3B
Cibacet Brilliant Pink 4BN
Celliton Rose FF 3B
Celliton Fast Pink FF 3BA-CF
Celliton Fast Pink FF 3B
Celanthrene Fast Pink 3B
Artisil Brilliant Rose 5BP
Amacel Cerise B
Acetate Fast Pink 3B
C.I. 62015
1,4-Diamino-2-methoxy-9,10-anthracenedione
Anthraquinone, 1,4-diamino-2-methoxy-
9,10-Anthracenedione, 1,4-diamino-2-methoxy-
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 |
