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Molecule
Acid Blue 62
CAS: 4368-56-3 · C20H20N2NaO5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4368-56-3
- Molecular Formula
- C20H20N2NaO5S
- Molecular Mass
- 423.45 g/mol
Identifiers
CAS Registry Number
4368-56-3
SMILES
Nc1c(S(=O)(=O)O)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O.[Na]
InChI Key
BVTRWVGASMMEGM-UHFFFAOYSA-N
InChI
InChI=1S/C20H20N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27);
Names and Synonyms
- Acid Blue 62 Synonym
- 2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1) Synonym
- 2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-, monosodium salt Synonym
- C.I. Acid Blue 62 Synonym
- Acid Alizarine Pure Blue R Synonym
- Alizarine Brilliant Sky Blue R Synonym
- Alizarine Direct Pure Blue R Synonym
- Alizarine Fast Blue RFE Synonym
- Alizarine Sky Blue R Synonym
- Alizarine Supra Sky RA Synonym
- Brilliant Alizarine Cyanine R Synonym
- Brilliant Alizarine Light Blue 3FR Synonym
- Erio Anthracene Brilliant Blue RFF Synonym
- Erionyl Blue E-RFF Synonym
- Eriosin Fast Blue RFF Synonym
- Fenazo Light Blue RA Synonym
- Kayacyl Sky Blue R Synonym
- Kayaku Alizarine Sky Blue R Synonym
- Suminol Levelling Sky Blue R Synonym
- Telon Blue RRL Synonym
- Tertracid Brilliant Light Blue R Synonym
- C.I. 62045 Synonym
- Alizarine Supra Blue R Synonym
- 1-Amino-4-cyclohexylaminoanthraquinone-2-sodium sulfonate Synonym
- Sodium 1-amino-4-(cyclohexylamino)-2-anthraquinonesulfonate Synonym
- Acid blue 62 Synonym
- Polan Navy Blue E 2R Synonym
- Alizarin Blue R Synonym
- Alizarin Brilliant Sky Blue R Synonym
- Nylomine Blue A 2R Synonym
- Nylanthrene Brilliant Blue 2RFF Synonym
- Acid Alizarine Brilliant Blue RN 200 Synonym
- Lissamine Blue 2BR Synonym
- Aminyl Sky Blue E 2RL Synonym
- Weak Acid Brilliant Blue 2BR Synonym
- Weak Acid Blue BRN Synonym
- Nylanthrene Blue B 2RF Synonym
- Weak Acid Brilliant Blue R Synonym
- Polan Blue E 2R Synonym
- Best Acid Sky Blue R Synonym
- Lerui Acid Brilliant Blue P 3FRL Synonym
- Daedo Acid Blue C-R Synonym
- Suracid Sky Blue BR Synonym
- Dinacid Sky Blue R Synonym
- Apollo Nylon Fast Blue L-R Synonym
- Everacid Blue RRL Synonym
- Vopsider Blue AIR Synonym
- Allilon Acid Blue B 2R Synonym
- Conacid Blue KB Synonym
- Acid Blue 2BR Synonym
- Acid Fast Blue IR Synonym
- Covanyl Blue CRFF Synonym
- Dycosweak Acid Brilliant Blue P 2R Synonym
- Acid Brilliant Blue P 2R Synonym
- Midlon Blue 2R Synonym
- Triacid Light Sky Blue R Synonym
- Hispalon Blue B-FAR Synonym
- Acid Alizarine RN 200 Synonym
- Vicoacid Blue 62 Synonym
- Hispacid Blue FAR Synonym
- Acid Blue BRN Synonym
- Concorde Acid Sky Blue R Synonym
- Naphthazine Blue CRFF Synonym
- Kenamide Blue G 2R Synonym
- Alizarine Brilliant Blue BR Synonym
- Dyacid Lt Blue R Synonym
- Acid Brilliant Blue BR Synonym
- Nylosan Blue E 2RL Synonym
- Rifa Acid Fast Blue E-R Synonym
- Acid Alizarine Blue RN Synonym
- Telon Blue RR Synonym
- Nyloset Blue E 2RF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 423.45 g/mol | CAS Common Chemistry |
| 423.44600000000014 g/mol | RDKit | |
| 423.446 g/mol | RDKit | |
| 424.447 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4CCCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C20H20N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27); | CAS Common Chemistry |
| InChI Key | InChIKey=BVTRWVGASMMEGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | Acid blue 62 | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 126.56 Ų | RDKit |
| LogP | 2.654700000000001 | RDKit |
| 2.6547 | RDKit | |
| 2.88 | chempirical lib | |
| Molar Refractivity | 110.22570000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 423.09906201999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 423.45 g/mol. Edit any field — others recompute live.
