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Molecule
Quinizarine Green Ss
CAS: 128-80-3 · C28H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 128-80-3
- Molecular Formula
- C28H22N2O2
- Molecular Mass
- 418.50 g/mol
Identifiers
CAS Registry Number
128-80-3
SMILES
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1
InChI Key
TVRGPOFMYCMNRB-UHFFFAOYSA-N
InChI
InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3
Names and Synonyms
- Quinizarine Green Ss Common Name
- Mitsui PS Green B Synonym
- Q 0021 Synonym
- Macrolex Green 5B Gran Synonym
- 9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]- Synonym
- Anthraquinone, 1,4-di-p-toluidino- Synonym
- 1,4-Bis[(4-methylphenyl)amino]-9,10-anthracenedione Synonym
- 11091 Green Synonym
- C.I. 61565 Synonym
- Ahcoquinone Cyanine Green Base Synonym
- Alizarine Cyanine Green Base Synonym
- Alizarine Cyanine Green G Fat Soluble Synonym
- Alizarine Green G Base Synonym
- Anthraquinone Green G Base Synonym
- Arlosol Green B Synonym
- Arlosol Green BS Synonym
- Arlosol Green BSS Synonym
- C.I. Solvent Green 3 Synonym
- 1,4-Di-p-toluidinoanthraquinone Synonym
- Nitro Fast Green GB Synonym
- Organol Fast Green J Synonym
- Quinizarine Green Base Synonym
- Quinizarin Green SS Synonym
- Sudan Green 4B Synonym
- Toyo Oriental Oil Blue G Synonym
- Waxoline Green G Synonym
- D and C Green No. 6 Synonym
- Amaplast Green OZ Synonym
- Solvent Green 3 Synonym
- Fat Soluble Anthraquinone Green Synonym
- Organol Green J Synonym
- Quinazarin green Synonym
- C-Green 10 Synonym
- Green No. 202 Synonym
- 1,4-Bis-p-toluidino-9,10-anthraquinone Synonym
- Fat Soluble Green Anthraquinone Synonym
- Macrolex Green 5B Synonym
- Cyanine Green G base Synonym
- Sumiplast Green G Synonym
- Oil Green 530 Synonym
- Orient Oil Green 530 Synonym
- 1,4-Bis[(4-methylphenyl)amino]anthraquinone Synonym
- FD and C Green no. 6 Synonym
- C.I. Disperse Green 6:1 Synonym
- 1,4-Bis(4′-methylanilino)anthraquinone Synonym
- Diaresin Green C Synonym
- Ceres Green BB Synonym
- Nitro Fast Green GSB Synonym
- Kayaset Green A-B Synonym
- Oil Green 5602 Synonym
- 1,4-Bis(p-tolylamino)anthraquinone Synonym
- Oplas Green 533 Synonym
- Japan Green 202 Synonym
- D 4 Synonym
- D 4 (dye) Synonym
- D&C Green No. 6 Synonym
- Sandoplast Green GSB Synonym
- 1,4-Di-(4′-toluidino)anthraquinone Synonym
- NSC 84207 Synonym
- Waxoline Green 6GFW Synonym
- Green 6 Synonym
- Brown 921 Synonym
- DC Green 6 Synonym
- KP Plast Green G Synonym
- Transparent Green 5B Synonym
- 1,4-Bis(4-methylanilino)anthracene-9,10-dione Synonym
- Solvaperm Green GSB Synonym
- 1,4-Bis(p-tolylamino)anthracene-9,10-dione Synonym
- Parasol Green 5B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 418.50 g/mol | CAS Common Chemistry |
| 418.4960000000002 g/mol | RDKit | |
| 418.496 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Quinizarine_Green_SS | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4)C)C13)NC5=CC=C(C=C5)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H22N2O2/c1-17-7-11-19(12-8-17)29-23-15-16-24(30-20-13-9-18(2)10-14-20)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TVRGPOFMYCMNRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 218 °C | CAS Common Chemistry |
| Name | Solvent Green 3 | CAS Common Chemistry |
| Quinizarine Green SS | CAS Common Chemistry | |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 58.199999999999996 Ų | RDKit |
| 58.2 Ų | RDKit | |
| LogP | 6.566040000000005 | RDKit |
| 6.566 | RDKit | |
| Molar Refractivity | 128.67240000000004 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 418.16812794399993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 418.50 g/mol. Edit any field — others recompute live.
