chempirical

Brilliant blue R

C45H44N3NaO7S2CAS 6104-59-2825.97 g/mol

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

Properties

Molecular formula
C45H44N3NaO7S2
Molar mass
825.97 g/mol
Exact mass
825.2518 Da
logP
8.23Crippen 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
6104-59-2
SMILES
CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)Cc4cccc(S([O-])(=O)=O)c4)C=C3)c3ccc(N(CC)Cc4cccc(S([O-])(=O)=O)c4)cc3)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

67 names · show all
  • Kenanthrol blue BT
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
  • C.I. Acid blue 83
  • C.I. Acid Blue 83, monosodium salt
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, monosodium salt
  • C.I. 42660
  • Acid brilliant cyanine 6B
  • Acidine sky blue R
  • Amacid brilliant cyanine 6B
  • Benzyl cyanine 6B
  • Brilliant acid blue 6B
  • Brilliant acid cyanine 6B
  • Brilliant indocyanine 6BA-CF
  • Coomassie brilliant blue R
  • Coriacide blue 2R
  • Eriosin brilliant cyanine 6B
  • Fenazo blue XXFB
  • Folan blue 6B
  • Impero azure 6B
  • Optanol cyanine 6B
  • Polycor blue R
  • Sapphire EMB
  • Sumitomo brilliant indocyanine 6B
  • Supranol cyanine 6B
  • Xylene brilliant cyanine 6B
  • Acid blue 83
  • Acid brilliant blue
  • Solar cyanine 6B
  • Coomassie blue R 250
  • Coomassie blue R
  • Brilliant indocyanine 6B
  • Serva blue R 250
  • Kayanol cyanine 6B
  • Acid bright blue
  • Chuganol blue 6B
  • Acid brilliant blue 6B
  • Brilliant blue R 250
  • Coomassie brilliant blue R 250
  • Brilliant cyanine 6B
  • Weak acid brilliant blue 6B
  • Kenacid blue R
  • Airedale blue RF
  • Anadurm cyanine A 6B
  • Triacid fast cyanine 6B
  • Concorde leather blue 6BG
  • Conacid blue MC
  • Lerui acid brilliant blue 6B
  • Concorde acid cyanine L 6B
  • Milling brilliant blue 2BR
  • Acid blue 6B 4065
  • Acid blue 6B
  • Concorde acid brilliant blue L-BR
  • Acid brilliant blue 6B4065
  • Polar blue 6B
  • Brilliant blue 6B
  • Triacor blue 6BR
  • Vicoacid blue 83
  • Dycosweak acid brilliant blue 6B
  • Best acid brilliant cyanine 6B
  • Sandolan cyanine N 6B
  • Colocid brilliant blue 6B
  • Simacid blue R 350
  • CBB-R 250
  • Coomassie brilliant blue R 350
  • Sella fast blue BBN
  • Coomassie R 250

Work with Brilliant blue R

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

Acid violet 174129-84-474 % similar C.I. Acid blue 906104-58-174 % similar Brilliant blue FCF3844-45-971 % similar Acid violet 491694-09-364 % similar Japan Blue 1 aluminum lake68921-42-663 % similar Acid blue 92650-18-259 % similar Acid blue 1129-17-953 % similar C.I. Acid green 1612768-78-451 % similar

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

Elsewhere

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