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Molecule
Disperse Violet 1
CAS: 128-95-0 · C14H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 128-95-0
- Molecular Formula
- C14H10N2O2
- Molecular Mass
- 238.25 g/mol
Identifiers
CAS Registry Number
128-95-0
SMILES
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
InChI Key
FBMQNRKSAWNXBT-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
Names and Synonyms
- Disperse Violet 1 Synonym
- 9,10-Anthracenedione, 1,4-diamino- Synonym
- Cibacet Violet 2R Synonym
- Anthraquinone, 1,4-diamino- Synonym
- 1,4-Diamino-9,10-anthracenedione Synonym
- C.I. 61100 Synonym
- Acetate Red Violet R Synonym
- Acetoquinone Light Heliotrope NL Synonym
- Acetylon Fast Red Violet R Synonym
- Amacel Heliotrope R Synonym
- Artisil Direct Violet 2RP Synonym
- Celanthrene Red Violet R Synonym
- Celliton Fast Red Violet Synonym
- Celliton Fast Red Violet RN Synonym
- Celliton Fast Red Violet RNA-CF Synonym
- Celutate Red Violet RH Synonym
- Cibacet Violet E 2R Synonym
- Cilla Fast Red Violet RN Synonym
- C.I. Solvent Violet 11 Synonym
- Diacelliton Fast Violet 5R Synonym
- 1,4-Diaminoanthraquinone Synonym
- Duranol Violet 2R Synonym
- Fenacet Fast Violet 5R Synonym
- Gracet Violet 2R Synonym
- Grasol Violet R Synonym
- Interchem Acetate Red Violet RRLF Synonym
- Interchem Acetate Violet R Synonym
- Interchem Hisperse Violet 2RH Synonym
- Krisolamine Synonym
- Microsetile Violet 3R Synonym
- Miketon Fast Red Violet R Synonym
- Nacelan Violet 4R Synonym
- Nyloquinone Violet R Synonym
- Oracet Violet 2R Synonym
- Perliton Violet 3R Synonym
- Serisol Brilliant Violet 2R Synonym
- Setacyl Violet P-R Synonym
- Setacyl Violet R Synonym
- Setile Violet 3R Synonym
- Supracet Brilliant Violet 3R Synonym
- C.I. Disperse Violet 1 Synonym
- Amaplast Red Violet P 2R Synonym
- Disperse Violet K Synonym
- Artisil Violet 2RP Synonym
- 1,4-Diamino-9,10-anthraquinone Synonym
- Resiren Violet TR Synonym
- Celliton Fast Violet R Synonym
- Oil Violet R Synonym
- Transetile Violet P 3R Synonym
- Sudan Violet Synonym
- NSC 7833 Synonym
- Celliton Red Violet RN Synonym
- Smoke Violet LK 6064 Synonym
- Diacelliton Fast Violet 3R Synonym
- Solvent Violet 11 Synonym
- Disperse Violet 1 Synonym
- Cibacet Violet 2RI Synonym
- Dispersol Violet B 2RA Synonym
- Violet 14447 Synonym
- Serilene Brilliant Violet 2R Synonym
- Akasperse Violet 3R Synonym
- NSC 63807 Synonym
- 1,4-Diamine anthoaquine Synonym
- 1,4-Diamino-9,10-dihydroanthracene-9,10-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.25 g/mol | CAS Common Chemistry |
| 238.246 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(N)=CC=C(N)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FBMQNRKSAWNXBT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 268 °C | CAS Common Chemistry |
| Name | Disperse Violet 1 | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | 1.6264 | RDKit |
| Molar Refractivity | 68.5738 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 238.07422756 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
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MW = 238.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H10N2O2.
