chempirical

Japan blue 1 aluminum lake

C37H36AlN2O9S3CAS 68921-42-6775.86 g/mol

Open in Covalent MOL file
Salt ratio not recorded. The source lists this compound as the parent acid and the metal without saying how many of each, so the formula and molar mass are for one of each. Check the formula on the supplier's label before you weigh it.
NSOOOHN+SOOOHSOOO−Al
AlkeneSulfonic acidTertiary amine

Properties

Molecular formula
C37H36AlN2O9S3
Molar mass
775.86 g/mol
Exact mass
775.1398 Da
logP
5.33Crippen estimate
Polar surface area
172.2 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
12

Identifiers

CAS number
68921-42-6
SMILES
CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccccc2S(=O)(=O)[O-])cc1.[Al]
InChIKey
IABOFWNBSBFGGI-UHFFFAOYSA-N
InChI
InChI=1S/C37H36N2O9S3.Al/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);

Weigh it out

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

Names and synonyms

19 names · show all
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, aluminum salt (1:?)
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, aluminum salt
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, aluminum salt
  • FD and C blue no. 1 lake
  • C.I. Food Blue 2 aluminum lake
  • C.I. 42090:2
  • C.I. Food blue 2:1
  • Pigment blue 78
  • C.I. Pigment blue 78
  • FD&C blue #1 aluminum lake
  • FD&C Blue No. 1 aluminum lake
  • D&C Blue No. 1 aluminum lake
  • Brilliant blue FCF lake
  • Brilliant blue FCF-L
  • Blue 1 lake
  • Brilliant Blue FCF aluminum lake
  • Lake brilliant blue
  • Brilliant blue aluminum lake
  • SWD 4733

Work with Japan blue 1 aluminum lake

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 blue 92650-18-292 % similar Brilliant blue fcf3844-45-982 % similar C.I. Acid blue 1116-95-067 % similar Acid violet 174129-84-464 % similar Brilliant blue R6104-59-259 % similar Acid blue 1129-17-955 % similar Acid violet 491694-09-355 % similar Fast green fcf2353-45-950 % similar

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

Elsewhere

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