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Solvaperm Blue B
CAS: 81-48-1 | C21H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 81-48-1
- Molecular Formula
- C21H15NO3
- Molecular Mass
- 329.36 g/mol
Identifiers
CAS Registry Number
81-48-1
SMILES
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1
InChI Key
LJFWQNJLLOFIJK-UHFFFAOYSA-N
InChI
InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
Names and Synonyms
- Solvaperm Blue B Synonym
- Solvent Violet 13 Synonym
- 9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]- Synonym
- Anthraquinone, 1-hydroxy-4-p-toluidino- Synonym
- 1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione Synonym
- C.I. 60725 Synonym
- Ahcoquinone Blue IR Base Synonym
- Alizarine Irisol R Base Synonym
- Alizarine Violet 3B Base Synonym
- N-(4-Hydroxy-1-anthraquinonyl)-4-methylaniline Synonym
- Irisol base Synonym
- Oil Violet IRS Synonym
- Oil Violet ZIRS Synonym
- 11092 Violet Synonym
- Waxoline Purple A Synonym
- Alizurol Purple Synonym
- C.I. Solvent Violet 13 Synonym
- D and C Violet No. 2 Synonym
- 1-Hydroxy-4-(p-toluidino)anthraquinone Synonym
- 1-Hydroxy-4-(4-methylanilino)anthraquinone Synonym
- Solvent Violet 13 Synonym
- 1-Hydroxy-4-p-toluidino-9,10-anthraquinone Synonym
- C.I. Disperse Blue 72 Synonym
- Duranol Brilliant Violet TG Synonym
- Sumikaron Violet B Synonym
- Resolin Blue RRL Synonym
- Resiren Blue TR Synonym
- Dispersol Violet B-G Synonym
- Transetile Violet P 3B Synonym
- Sumikaron Violet 3BL Synonym
- Alizarine Violet 3B Synonym
- 1-p-Toluidino-4-hydroxyanthraquinone Synonym
- Orient Oil Violet 730 Synonym
- Alizarin violet 3B Synonym
- Macrolex Violet B Synonym
- 1-Hydroxy-4-(p-tolylamino)-9,10-anthraquinone Synonym
- C.I. Solvent Blue 90 Synonym
- Diaresin Blue G Synonym
- Lurafix Blue 590 Synonym
- Disperse Blue 72 Synonym
- Solvent Blue 90 Synonym
- Teraprint Blue 6R Synonym
- Calco Oil Violet ZIRS Synonym
- Pyla-Cert D and C Violet 2 Synonym
- Alizurol Purple SS Synonym
- Japan Violet 201 Synonym
- Violet No. 201 Synonym
- Japan Violet No. 201 Synonym
- Japan Purple 201 Synonym
- 1-Hydroxy-4-[(4-methylphenyl)-9,10-anthracenedione Synonym
- Thermoplast Blue 684 Synonym
- Kayaset Blue A 2R Synonym
- Sumiplast Violet B Synonym
- D&C Violet No. 2 Synonym
- Sandoplast Violet RSB Synonym
- Oplas Violet 730 Synonym
- D&C Violet 2 Synonym
- NSC 2856 Synonym
- Violet 2 Synonym
- Plast Violet 8840 Synonym
- Quinizarin Blue Synonym
- Alizarine Purple Lake SS Synonym
- Purple No. 201 Synonym
- KP Plast Violet 2R Synonym
- Macrolex Violet 2R Synonym
- Macrolex Violet B GR Synonym
- FS Violet 1805 Synonym
- 1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-dihydroanthracene-9,10-dione Synonym
- B 72 Synonym
- 1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-anthraquinone Synonym
- 1-Hydroxy-4-(4-methylanilino)anthracene-9,10-dione Synonym
- 1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione Synonym
- Keyplast Oil Violet IRS Synonym
- Keyplast Violet IRS Synonym
- Oracet Violet 580 Synonym
- Q 0022 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 329.36 g/mol | CAS Common Chemistry |
| 329.3550000000001 g/mol | RDKit | |
| 329.355 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Solvent_Violet_13 | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NC4=CC=C(C=C4)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H15NO3/c1-12-6-8-13(9-7-12)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LJFWQNJLLOFIJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 186.1 °C | CAS Common Chemistry |
| Name | Solvent Violet 13 | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 66.4 Ų | RDKit |
| LogP | 4.219620000000003 | RDKit |
| 4.2196 | RDKit | |
| Molar Refractivity | 95.87550000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0476 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 329.10519334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
