chempirical

Acid blue 1

C27H31N2NaO6S2CAS 129-17-9566.66 g/mol

Open in Covalent MOL file
NN+SO−OOSO−OONa+
AlkeneSulfonic acidTertiary amine

Properties

Molecular formula
C27H31N2NaO6S2
Molar mass
566.66 g/mol
Exact mass
566.1521 Da
logP
3.72Crippen estimate
Polar surface area
117.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
9

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
129-17-9
SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S([O-])(=O)=O)cc2S([O-])(=O)=O)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

83 names · show all
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1)
  • Xylene blue VS
  • C.I. Acid Blue 1, sodium salt
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, sodium salt
  • [4-[α-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydroxide, inner salt, sodium salt
  • Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt
  • 1085 Blue
  • C.I. 42045
  • Acid blue V
  • Acid leather blue V
  • Aizen brilliant acid pure blue VH
  • Amacid blue V
  • Blue URS
  • Blue VRS
  • Brilliant acid blue A export
  • Brilliant acid blue V extra
  • Brilliant acid blue VS
  • Brilliant blue GS
  • Bucacid patent blue VF
  • Carmine blue VF
  • C.I. Acid blue 1
  • C.I. Food blue 3
  • Disulfine blue VN
  • Disulphine VN
  • Edicol supra blue VR
  • Erioglaucine supra
  • Fenazo blue XF
  • Hexacol blue VRS
  • Hidacid blue V
  • Kiton pure blue V
  • Kiton pure blue V.FQ
  • Leather blue G
  • Merantine blue VF
  • Patent blue
  • Patent blue V
  • Patent blue VF
  • Patent blue VF-CF
  • Patent blue VF special
  • Pontacyl brilliant blue V
  • Sulfan blue
  • Sulphan blue
  • Sumitomo patent pure blue VX
  • Tertracid carmine blue V
  • Disulphine blue VN 150
  • Sodium blue VRS
  • Sodium patent blue V
  • Patent blue VS
  • Alphazurine 2G
  • Acid brilliant sky blue Z
  • Acid brilliant blue Z
  • Acid bright azure Z
  • Disulphine blue VN
  • Patent blue violet
  • Patent pure blue VX
  • Orient water blue 106
  • Duasyn acid blue V 02
  • Acid turquoise blue V
  • Bleu patente V
  • Simacid blue V
  • Vicoacid blue 275
  • Acid sky blue V
  • Kemacid patent blue VS
  • Indacid patent blue VS
  • Dinacid patent blue VS
  • Water blue 182331
  • Covalene blue V
  • Blue VRS 90147
  • Ratna acid blue VS
  • Water blue 172744
  • Concorde acid blue black 10B
  • Triacid blue V
  • Sandolan turquoise E-VS
  • Victacid patent blue
  • Dycosacid blue BGA
  • Colocid patent blue VS
  • Dyacid turquoise blue VB
  • Acid patent blue VS
  • Acid pattern blue VS
  • Ravi patent blue VS
  • Libacid patent blue LVS
  • Azure blue VX
  • Disulphine blue
  • Disulfine blue

Work with Acid blue 1

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

C.I. Acid blue 1116-95-0Free acid

Similar compounds

C.I. Acid green 1612768-78-477 % similar Acid violet 174129-84-469 % similar Brilliant blue FCF3844-45-968 % similar Japan Blue 1 aluminum lake68921-42-658 % similar Brilliant green (dye)633-03-457 % similar Acid violet 491694-09-356 % similar Acid blue 92650-18-255 % similar Brilliant blue R6104-59-253 % similar

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

Elsewhere

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