chempirical

C.I. Acid blue 90

C47H48N3NaO7S2CAS 6104-58-1854.02 g/mol

Open in Covalent MOL file
ONHN+SO−OONSO−OONa+
AlkeneEtherSecondary amineSulfonic acidTertiary amine

Properties

Molecular formula
C47H48N3NaO7S2
Molar mass
854.02 g/mol
Exact mass
853.2831 Da
logP
8.93Crippen estimate
Polar surface area
139.1 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
15

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6104-58-1
SMILES
CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)Cc4cccc(S([O-])(=O)=O)c4)C=C3C)c3ccc(N(CC)Cc4cccc(S([O-])(=O)=O)c4)cc3C)cc2)cc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

68 names · show all
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
  • C.I. Acid Blue 90, monosodium salt
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt
  • Brilliant indocyanine G
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, monosodium salt
  • C.I. 42655
  • Acid brilliant cyanine G
  • Acidine sky blue G
  • Amacid brilliant cyanine G
  • Benzyl cyanine G
  • Brilliant acid blue G
  • Brilliant acid blue J
  • Brilliant acid blue GI
  • Brilliant acid cyanine G
  • Brilliant blue J
  • Brilliant indocyanine GA-CF
  • Bucacid brilliant indocyanine G
  • Coomassie brilliant blue G
  • Derma cyanine G
  • Eriosin brilliant cyanine G
  • Fenazo blue XXFG
  • Impero azure G
  • Optanol cyanine G
  • Polycor blue G
  • Silk fast cyanine G
  • Supranol cyanin G
  • Xylene brilliant cyanine G
  • Coomassie brilliant blue G 250
  • Acid blue 90
  • Coomassie blue G 250
  • Water blue 150
  • Coomassie blue G
  • Sandolan cyanine N-G
  • Kayanol cyanine G
  • Brilliant blue G
  • Supranol cyanine G
  • Polar blue G
  • Acid bright blue G
  • Acid brilliant blue G
  • Orient water blue 105
  • Brilliant blue G 250
  • NSC 328382
  • Water blue 105
  • Acid blue PG
  • Polar blue G 01
  • Cyanine G
  • Acid blue G 4061
  • Anadurm cyanine A-G
  • Colocid brilliant blue EG
  • Sumitomo brilliant indocyanine G
  • Simacid blue G 350
  • Lerui acid brilliant blue G
  • Daiwa acid blue 300
  • Dycosweak acid brilliant blue G
  • Sellaset blue B
  • Milling brilliant blue 2J
  • Derma cyanine GN 360
  • Triacid fast cyanine G
  • BBG
  • Serva blue G 250
  • Serva blue G
  • Biosafe coomassie stain
  • Coomassie G 250
  • Orient water blue 105S
  • Water blue 105S
  • CBB-G 250
  • Boomassie blue silver
  • TissueBlue

Work with C.I. Acid blue 90

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Brilliant blue R6104-59-274 % similar Brilliant blue FCF3844-45-955 % similar Acid violet 174129-84-453 % similar Japan Blue 1 aluminum lake68921-42-650 % similar Acid violet 491694-09-347 % similar Acid blue 92650-18-246 % similar Fast green FCF2353-45-942 % similar Acid blue 1129-17-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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