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Solvent Violet 13
CAS: 81-48-1 | C21H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81-48-1
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3550000000001 g/mol
Names and Synonyms:
Solvent Violet 13
9,10-Anthracenedione, 1-hydroxy-4-[(4-methylphenyl)amino]-
Anthraquinone, 1-hydroxy-4-p-toluidino-
1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione
C.I. 60725
Ahcoquinone Blue IR Base
Alizarine Irisol R Base
Alizarine Violet 3B Base
N-(4-Hydroxy-1-anthraquinonyl)-4-methylaniline
Irisol base
Oil Violet IRS
Oil Violet ZIRS
11092 Violet
Waxoline Purple A
Alizurol Purple
C.I. Solvent Violet 13
D and C Violet No. 2
1-Hydroxy-4-(p-toluidino)anthraquinone
1-Hydroxy-4-(4-methylanilino)anthraquinone
Solvent Violet 13
1-Hydroxy-4-p-toluidino-9,10-anthraquinone
C.I. Disperse Blue 72
Duranol Brilliant Violet TG
Sumikaron Violet B
Resolin Blue RRL
Resiren Blue TR
Dispersol Violet B-G
Transetile Violet P 3B
Sumikaron Violet 3BL
Alizarine Violet 3B
1-p-Toluidino-4-hydroxyanthraquinone
Orient Oil Violet 730
Alizarin violet 3B
Macrolex Violet B
1-Hydroxy-4-(p-tolylamino)-9,10-anthraquinone
C.I. Solvent Blue 90
Diaresin Blue G
Lurafix Blue 590
Disperse Blue 72
Solvent Blue 90
Teraprint Blue 6R
Solvaperm Blue B
Calco Oil Violet ZIRS
Pyla-Cert D and C Violet 2
Alizurol Purple SS
Japan Violet 201
Violet No. 201
Japan Violet No. 201
Japan Purple 201
1-Hydroxy-4-[(4-methylphenyl)-9,10-anthracenedione
Thermoplast Blue 684
Kayaset Blue A 2R
Sumiplast Violet B
D&C Violet No. 2
Sandoplast Violet RSB
Oplas Violet 730
D&C Violet 2
NSC 2856
Violet 2
Plast Violet 8840
Quinizarin Blue
Alizarine Purple Lake SS
Purple No. 201
KP Plast Violet 2R
Macrolex Violet 2R
Macrolex Violet B GR
FS Violet 1805
1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-dihydroanthracene-9,10-dione
B 72
1-Hydroxy-4-[(4-methylphenyl)amino]-9,10-anthraquinone
1-Hydroxy-4-(4-methylanilino)anthracene-9,10-dione
1-Hydroxy-4-(p-tolylamino)anthracene-9,10-dione
Keyplast Oil Violet IRS
Keyplast Violet IRS
Oracet Violet 580
Q 0022
Identifiers:
SMILES:
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1
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
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 | 329.36 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Solvent_Violet_13 None | Legacy Database |
| cas-canonical-smile | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NC4=CC=C(C=C4)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=LJFWQNJLLOFIJK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 186.1 °C None | Legacy Database |
| cas-name | Solvent Violet 13 None | Legacy Database |
| wikipedia-name | Solvent Violet 13 None | Legacy Database |
| LogP | 4.219620000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 329.3550000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 329.10519334 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 66.4 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 95.87550000000003 | RDKit |
