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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 Weight:
238.246 g/mol
Names and Synonyms:
Disperse Violet 1
9,10-Anthracenedione, 1,4-diamino-
Cibacet Violet 2R
Anthraquinone, 1,4-diamino-
1,4-Diamino-9,10-anthracenedione
C.I. 61100
Acetate Red Violet R
Acetoquinone Light Heliotrope NL
Acetylon Fast Red Violet R
Amacel Heliotrope R
Artisil Direct Violet 2RP
Celanthrene Red Violet R
Celliton Fast Red Violet
Celliton Fast Red Violet RN
Celliton Fast Red Violet RNA-CF
Celutate Red Violet RH
Cibacet Violet E 2R
Cilla Fast Red Violet RN
C.I. Solvent Violet 11
Diacelliton Fast Violet 5R
1,4-Diaminoanthraquinone
Duranol Violet 2R
Fenacet Fast Violet 5R
Gracet Violet 2R
Grasol Violet R
Interchem Acetate Red Violet RRLF
Interchem Acetate Violet R
Interchem Hisperse Violet 2RH
Krisolamine
Microsetile Violet 3R
Miketon Fast Red Violet R
Nacelan Violet 4R
Nyloquinone Violet R
Oracet Violet 2R
Perliton Violet 3R
Serisol Brilliant Violet 2R
Setacyl Violet P-R
Setacyl Violet R
Setile Violet 3R
Supracet Brilliant Violet 3R
C.I. Disperse Violet 1
Amaplast Red Violet P 2R
Disperse Violet K
Artisil Violet 2RP
1,4-Diamino-9,10-anthraquinone
Resiren Violet TR
Celliton Fast Violet R
Oil Violet R
Transetile Violet P 3R
Sudan Violet
NSC 7833
Celliton Red Violet RN
Smoke Violet LK 6064
Diacelliton Fast Violet 3R
Solvent Violet 11
Disperse Violet 1
Cibacet Violet 2RI
Dispersol Violet B 2RA
Violet 14447
Serilene Brilliant Violet 2R
Akasperse Violet 3R
NSC 63807
1,4-Diamine anthoaquine
1,4-Diamino-9,10-dihydroanthracene-9,10-dione
Identifiers:
SMILES:
Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
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
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 | 238.25 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C=3C(N)=CC=C(N)C13 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=FBMQNRKSAWNXBT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 268 °C None | Legacy Database |
| cas-name | Disperse Violet 1 None | Legacy Database |
| LogP | 1.6264 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 238.246 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 238.07422756 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 86.18 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 68.5738 | RDKit |
