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Acid Blue 62
CAS: 4368-56-3 | C20H20N2NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4368-56-3
Molecular Formula:
C20H20N2NaO5S
Molecular Mass:
423.45 g/mol
Names and Synonyms:
Acid Blue 62
2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-, monosodium salt
C.I. Acid Blue 62
Acid Alizarine Pure Blue R
Alizarine Brilliant Sky Blue R
Alizarine Direct Pure Blue R
Alizarine Fast Blue RFE
Alizarine Sky Blue R
Alizarine Supra Sky RA
Brilliant Alizarine Cyanine R
Brilliant Alizarine Light Blue 3FR
Erio Anthracene Brilliant Blue RFF
Erionyl Blue E-RFF
Eriosin Fast Blue RFF
Fenazo Light Blue RA
Kayacyl Sky Blue R
Kayaku Alizarine Sky Blue R
Suminol Levelling Sky Blue R
Telon Blue RRL
Tertracid Brilliant Light Blue R
C.I. 62045
Alizarine Supra Blue R
1-Amino-4-cyclohexylaminoanthraquinone-2-sodium sulfonate
Sodium 1-amino-4-(cyclohexylamino)-2-anthraquinonesulfonate
Acid blue 62
Polan Navy Blue E 2R
Alizarin Blue R
Alizarin Brilliant Sky Blue R
Nylomine Blue A 2R
Nylanthrene Brilliant Blue 2RFF
Acid Alizarine Brilliant Blue RN 200
Lissamine Blue 2BR
Aminyl Sky Blue E 2RL
Weak Acid Brilliant Blue 2BR
Weak Acid Blue BRN
Nylanthrene Blue B 2RF
Weak Acid Brilliant Blue R
Polan Blue E 2R
Best Acid Sky Blue R
Lerui Acid Brilliant Blue P 3FRL
Daedo Acid Blue C-R
Suracid Sky Blue BR
Dinacid Sky Blue R
Apollo Nylon Fast Blue L-R
Everacid Blue RRL
Vopsider Blue AIR
Allilon Acid Blue B 2R
Conacid Blue KB
Acid Blue 2BR
Acid Fast Blue IR
Covanyl Blue CRFF
Dycosweak Acid Brilliant Blue P 2R
Acid Brilliant Blue P 2R
Midlon Blue 2R
Triacid Light Sky Blue R
Hispalon Blue B-FAR
Acid Alizarine RN 200
Vicoacid Blue 62
Hispacid Blue FAR
Acid Blue BRN
Concorde Acid Sky Blue R
Naphthazine Blue CRFF
Kenamide Blue G 2R
Alizarine Brilliant Blue BR
Dyacid Lt Blue R
Acid Brilliant Blue BR
Nylosan Blue E 2RL
Rifa Acid Fast Blue E-R
Acid Alizarine Blue RN
Telon Blue RR
Nyloset Blue E 2RF
Identifiers:
SMILES:
Nc1c(S(=O)(=O)O)cc(NC2CCCCC2)c2c1C(=O)c1ccccc1C2=O.[Na]
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);
Key Properties
Melting Point
>300 °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 | 423.45 g/mol | CAS Common Chemistry |
| 423.44600000000014 g/mol | RDKit | |
| 423.09906201999996 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 110.22570000000003 | RDKit |
