Aniline Blue
Basic information
- CAS
61489-48-3- Standard SMILES
O=S(=O)(O)c1ccc(N=C2C=CC(=C(c3ccc(Nc4ccc(S(=O)(=O)O)cc4)cc3)c3ccc(Nc4ccc(S(=O)(=O)O)cc4)cc3)C=C2)cc1- InChIKey
RFKJHQXSLBUONF-UHFFFAOYSA-N- Molecular formula
- C37H29N3O9S3
- Average molar mass
- 755.8 g/mol
- Monoisotopic mass
- 755.10659303
Overview
Methyl blue free acid is an arenesulfonic acid, the disodium salt of which is the histological dye 'methyl blue' (used for staining collagen in Masson's trichrome and Mallory's method for connective tissue). It is an imine, an arenesulfonic acid, an aromatic amine and a secondary amino compound. It is a conjugate acid of a methyl blue(2-).
Names & identifiers
- Preferred name
- Aniline Blue
- IUPAC
- 4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid
- English name
- AnilineBlueAlcoholSolubleC.I.42775
- Molecular formula
- C37H29N3O9S3
- Molecular weight
- 755.83586
Names & synonyms
61489-48-3RefChem:915883DTXSID301054465Aniline Bluemethyl blue free acid4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid4,4'-{({4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis[(4,1-phenylene)azanediyl]}di(benzene-1-sulfonic acid)SCHEMBL17279091CHEBI:87477DTXSID70865461RFKJHQXSLBUONF-UHFFFAOYSA-NAKOS015916530
Show more names
AnilineBlue(Masson)SolutionAnilineBlue1%AqueousSolutionAnilineBlue1%AlcoholicSolutionAnilineBlueAlcoholSolubleC.I.42775
NS00021363Q27159656[[4-[Bis[4-[(sulfophenyl)amino]-phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulfonic acid4,4'-[({4-[(4-Sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis(4,1-phenyleneazanediyl)]di(benzene-1-sulfonic acid)
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,570
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Additional notes
DefinitionChEBI: An arenesulfonic acid, the disodium salt of which is the histological dye 'methyl blue' (used for staining collagen in Masson's trichrome and Mallory's method for connective tissue).
Related reactions
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Compound notes
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