Back to Search
Molecule
Disperse Red 9
CAS: 82-38-2 · C15H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 82-38-2
- Molecular Formula
- C15H11NO2
- Molecular Mass
- 237.26 g/mol
Identifiers
CAS Registry Number
82-38-2
SMILES
CNc1cccc2c1C(=O)c1ccccc1C2=O
InChI Key
SVTDYSXXLJYUTM-UHFFFAOYSA-N
InChI
InChI=1S/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3
Names and Synonyms
- Disperse Red 9 Synonym
- 9,10-Anthracenedione, 1-(methylamino)- Synonym
- C.I. Disperse Red 9 Synonym
- Anthraquinone, 1-(methylamino)- Synonym
- 1-(Methylamino)-9,10-anthracenedione Synonym
- C.I. 60505 Synonym
- Celanthrene Red Y Synonym
- Celliton Pink R Synonym
- Duranol Red GN Synonym
- 1-(Methylamino)anthraquinone Synonym
- N-Methyl-1-anthraquinonylamine Synonym
- Oil Red ZMQ Synonym
- Serilene Fast Pink BT Synonym
- Supracet Pink R Synonym
- Waxoline Red MAA Synonym
- Waxoline Red MP Synonym
- α-Methylaminoanthraquinone Synonym
- 1-(Methylamino)-9,10-anthraquinone Synonym
- Calco Oil Red ZMQ Synonym
- C.I. Solvent Red 111 Synonym
- Macrolex Red G Synonym
- Amaplast Red AAP Synonym
- Orient Oil Red 330 Synonym
- Smoke Red M Synonym
- Macrolex Red GS Synonym
- Oracet Red G Synonym
- Disperse Red 9 Synonym
- Solvent Red 111 Synonym
- Kayaset Red G Synonym
- Diaresin Red S Synonym
- Oplas Red 330 Synonym
- Sandoplast Red PFS Synonym
- Waxoline Red MP-FW Synonym
- NSC 3721 Synonym
- KP Plast Red G Synonym
- Oil Red 111 Synonym
- Transparent Red GS Synonym
- Solvaperm Red PFS Synonym
- Solvaperm Red 111 Synonym
- 1-(Methylamino)-9,10-dihydroanthracene-9,10-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.26 g/mol | CAS Common Chemistry |
| 237.25799999999998 g/mol | RDKit | |
| 237.258 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Disperse_Red_9 | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NC | CAS Common Chemistry |
| InChI | InChI=1S/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SVTDYSXXLJYUTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171 °C | CAS Common Chemistry |
| Name | Solvent Red 111 | CAS Common Chemistry |
| Disperse Red 9 | CAS Common Chemistry | |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 46.17 Ų | RDKit |
| LogP | 2.5037000000000003 | RDKit |
| 2.5037 | RDKit | |
| Molar Refractivity | 69.29570000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 237.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 237.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H11NO2.
