Oxamine Blue 4R structure

Oxamine Blue 4R

disodium;7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2-sulfonate

Also Known As: Oxamine Blue 4R|CI direct Blue 3|Erie violet 2B|C.I. Direct Blue 3|OXAMINEBLUE4R|DIRECT BLUE 3|C.I. Direct Blue 3, disodium salt|CI DIRECT BLUE 3, DISODIUM SALT|CI 23705|C.I. 23705|disodium;7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2-sulfonate|1-NAPHTHALENESULFONIC ACID, 3-(2-(4'-(2-(6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-3,3'-DIMETHYL(1,1'-BIPHENYL)-4-YL)DIAZENYL)-4-HYDROXY-, SODIUM SALT (1:2)|Disodium 3-((4'-((6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-1-sulphonate|1-NAPHTHALENESULFONIC ACID, 3-((4'-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)AZO)-3,3'-DIMETHYL(1,1'-BIPHENYL)-4-YL)AZO)-4-HYDROXY-, DISODIUM SALT|1-Naphthalenesulfonic acid, 3-[2-[4'-[2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2)|Disodium 3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate|Sodium 3-((4'-((6-amino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl)-3,3'-dimethyl-[1,1'-biphenyl]-4-yl)diazenyl)-4-hydroxynaphthalene-1-sulfonate

CAS: 2429-72-3
Molecular Formula C34H25N5Na2O8S2
Molecular Weight 741.094 g/mol
LogP 1.91724
Topological Polar Surface Area 247.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 13
Rotatable Bonds 5
Exact Mass 741.094
Monoisotopic Mass 741.094
Heavy Atoms 51
Complexity 1390.0

Chemical Identifiers

CAS Number 2429-72-3
SMILES CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)[O-])C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O.[Na+].[Na+]
InChIKey CWVISFDXEWCPPS-UHFFFAOYSA-L

Product Overview

Oxamine Blue 4R (CAS 2429-72-3), with molecular formula C34H25N5Na2O8S2 and molecular weight 741.094 g/mol. IUPAC: disodium;7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2-sulfonate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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