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Molecule
Disperse Blue 14
CAS: 2475-44-7 · C16H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2475-44-7
- Molecular Formula
- C16H14N2O2
- Molecular Mass
- 266.30 g/mol
Identifiers
CAS Registry Number
2475-44-7
SMILES
CNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O
InChI Key
QOSTVEDABRQTSU-UHFFFAOYSA-N
InChI
InChI=1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3
Names and Synonyms
- Disperse Blue 14 Synonym
- 9,10-Anthracenedione, 1,4-bis(methylamino)- Synonym
- Anthraquinone, 1,4-bis(methylamino)- Synonym
- 1,4-Bis(methylamino)-9,10-anthracenedione Synonym
- C.I. 61500 Synonym
- Acetate Blue B Synonym
- Artisil Blue BRP Synonym
- 1,4-Bis(methylamino)anthraquinone Synonym
- Celliton Fast Blue B Synonym
- Cibacet Blue BR Synonym
- Cilla Fast Blue B Synonym
- C.I. Disperse Blue 14 Synonym
- Duranol Brilliant Blue G Synonym
- Serisol Brilliant Blue G Synonym
- Supracet Fast Blue 2G Synonym
- Disperse Blue 14 Synonym
- C.I. Disperse Blue 110 Synonym
- Setacyl Blue BS Synonym
- 1,4-Bis-N-methylamino-9,10-anthraquinone Synonym
- Resiren Blue TB Synonym
- C.I. Disperse Blue 78 Synonym
- 1,4-Bis(methylamino)-9,10-anthraquinone Synonym
- Macrolex Blue FR Synonym
- C.I. Solvent Blue 93 Synonym
- C.I. Solvent Blue 78 Synonym
- Solvent Blue 93 Synonym
- Disperse Blue 78 Synonym
- Disperse Blue 110 Synonym
- Solvent Blue 78 Synonym
- Diaresin Blue K Synonym
- Sumiplast Blue GP Synonym
- Plast Blue 8516 Synonym
- Intratherm Blue P 1404 Synonym
- NSC 86161 Synonym
- Disperse Blue B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.30 g/mol | CAS Common Chemistry |
| 266.3 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC)C13)NC | CAS Common Chemistry |
| InChI | InChI=1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QOSTVEDABRQTSU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 220 °C | CAS Common Chemistry |
| Name | Disperse Blue 14 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 58.199999999999996 Ų | RDKit |
| 58.2 Ų | RDKit | |
| LogP | 2.5454000000000008 | RDKit |
| 2.5454 | RDKit | |
| Molar Refractivity | 78.84240000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 266.105527688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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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.
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MW = 266.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H14N2O2.
