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Disperse Violet 26
CAS: 12217-95-7 | C26H18N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12217-95-7
Molecular Formula:
C26H18N2O4
Molecular Mass:
422.44 g/mol
Names and Synonyms:
Disperse Violet 26
9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-
C.I. Disperse Violet 26
1,4-Diamino-2,3-diphenoxy-9,10-anthracenedione
C.I. 62025
1,4-Diamino-2,3-diphenoxyanthraquinone
Mowilith Red 3B
Mowilith Red TBP
C.I. Disperse Violet 31
Sumikaron Bordeaux B
Resolin Red Violet FBL
Samaron Violet HFRL
Dispersol Violet C 4R
Disperse Violet 26
PTV 57
Solvaperm Red Violet R
Red Violet R
Macrolex Red Violet R
Sumiplast Bordeaux HBL
Kayalon Polyester Red Violet FBL
Navilene Red Violet IFBL
Sumikaron Bordeaux SE-BL
Disperse Violet HFRL
Navilene Red Violet FBL
Serene Disperse Violet 26
Plast Red 8380
Solvent Violet 59
C.I. Solvent Violet 59
Sandoplast Red Violet R
Disperse Violet 31
Disperse Violet SE-BL
Disperse Violet 26/31
Identifiers:
SMILES:
Nc1c(Oc2ccccc2)c(Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O
InChI:
InChI=1S/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2
Key Properties
Melting Point
195 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 422.44 g/mol | CAS Common Chemistry |
| 422.4400000000002 g/mol | RDKit | |
| 422.12665705599994 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(N)=C(OC=4C=CC=CC4)C(OC=5C=CC=CC5)=C(N)C13 | CAS Common Chemistry |
| InChI | InChI=1S/C26H18N2O4/c27-21-19-20(24(30)18-14-8-7-13-17(18)23(19)29)22(28)26(32-16-11-5-2-6-12-16)25(21)31-15-9-3-1-4-10-15/h1-14H,27-28H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NZTGGRGGJFCKGG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195 °C | CAS Common Chemistry |
| Name | Disperse Violet 26 | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 104.63999999999999 Ų | RDKit |
| LogP | 5.211000000000004 | RDKit |
| Molar Refractivity | 121.60580000000004 | RDKit |
