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Nylanthrene Blue B 2RF

CAS: 4368-56-3 | C20H20N2NaO5S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 4368-56-3
Molecular Formula: C20H20N2NaO5S
Molecular Weight: 423.44600000000014 g/mol

Names and Synonyms:

Nylanthrene Blue B 2RF
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
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);

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 423.45 g/mol Legacy Database
cas-canonical-smile [Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4CCCCC4 None Legacy Database
cas-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); None Legacy Database
cas-inchi-key InChIKey=BVTRWVGASMMEGM-UHFFFAOYSA-N None Legacy Database
cas-melting-point >300 °C None Legacy Database
cas-name Acid blue 62 None Legacy Database
LogP 2.654700000000001 RDKit

Molecular

Property Value Source
Molecular Weight 423.44600000000014 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 423.09906201999996 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 29 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 3 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 126.56 Ų RDKit

Molar

Property Value Source
Molar Refractivity 110.22570000000003 RDKit

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