chempirical

Acid blue 9

C37H42N4O9S3CAS 2650-18-2782.94 g/mol

Open in Covalent MOL file
NSOOOHN+SOOOHSOOO−NH3NH3
AlkeneSulfonic acidTertiary amine

Properties

Molecular formula
C37H42N4O9S3
Molar mass
782.94 g/mol
Exact mass
782.2114 Da
logP
6.04Crippen estimate
Polar surface area
242.2 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
12

Identifiers

CAS number
2650-18-2
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.N.N
InChIKey
HMEKVHWROSNWPD-UHFFFAOYSA-N
InChI
InChI=1S/C37H36N2O9S3.2H3N/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);2*1H3

Weigh it out

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

Names and synonyms

104 names · show all
  • Hidacid azure blue
  • Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, ammonium salt (1:2)
  • Alphazurine FG
  • C.I. Acid Blue 9, diammonium salt
  • 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, diammonium 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, diammonium salt
  • 11388 Blue
  • Acilan turquoise blue AE
  • Aizen brilliant blue FCF
  • Alphazurine FGND
  • Alphazurine
  • Amacid blue FG conc
  • A.F. Blue no. 1
  • Bucacid azure blue
  • Calcocid blue EG
  • Disulphine lake blue EG
  • Edicol supra blue E 6
  • Erioglaucine A
  • Erioglaucine E
  • Eriosky blue
  • Fenazo blue XR
  • Kiton blue AR
  • Kiton pure blue L
  • Maple brilliant blue FCF
  • Neptune blue BRA
  • Patent blue 2Y
  • Patent blue AE
  • Peacock blue X 1756
  • Xylene blue VSG
  • C.I. Acid blue 9
  • Calcocid blue 2G
  • Erioglaucine
  • H.K. Formula no. K 7117
  • Water blue 9
  • Orient water blue 9
  • Acid sky blue A
  • Duasyn acid blue AE
  • D And C blue no. 4
  • Rakuto brilliant blue FCF
  • Japan blue 205
  • Vitasyn blue AE 85
  • Acid blue AE-SF
  • Duasyn acid blue AE-SF
  • Daiwa blue 109H
  • C.I. Acid Blue 9 ammonium salt
  • Pro-jet blue OAM
  • Duasyn acid blue AE 85
  • AE 85
  • Basacid green 21L
  • NSC 4318
  • NSC 5018
  • Hexacol brilliant blue
  • Acid brilliant blue FCF
  • Iragon blue ABL 9
  • Lerui acid blue FG
  • Brilliant blue FCF 36021
  • Dinacid patent blue AE
  • Eurocert brilliant blue FCF 312507
  • Best acid brilliant blue FCF
  • FD&C blue no. 1 90130
  • FD&C blue no. 1 37005
  • Basacid blue NB 757
  • Water blue 310502
  • Brilliant blue FCF 90130
  • Neelicol brilliant blue FCF
  • Acid brilliant blue FG
  • Acid blue FG
  • Brilliant blue FCF 37013
  • Basacid blue NB 754
  • Necol brilliant blue FCF
  • Neolan blue E-A
  • Brilliant blue FCF 37012
  • Brilliant blue FCF 307047
  • Brilliant blue FDF 37002
  • Acid blue 9-39003
  • FD&C blue no. 1 37002
  • Usacert FD & C blue no 1 310501
  • Ravi patent blue AE
  • Dycosacid turquoise blue GZ
  • Pacid blue
  • Sandolan blue E-VSG
  • Acid enoglaucine
  • FD&C blue no. 1 37012
  • Triacid blue AE
  • Dyacid turquoise an
  • Blue 17608
  • FD & C blue no 1 308001
  • Cogilor blue 512.12
  • Simacid blue A
  • Vicoacid blue 9
  • Colocid brilliant blue C
  • FD&C blue no. 1 37013
  • Brilliant blue FCF 37005
  • Naphthazine brilliant blue AE
  • Kemacid brilliant blue FCF
  • D&C Blue no. 4
  • Daiwa blue 1WB
  • Daiwa blue 1
  • Blue no. 205
  • Blue 205
  • Keyacid blue FG
  • C.I. 2650182
  • Alpha-jet blue 2G
  • α-Jet blue 2G

Work with Acid blue 9

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

Japan blue 1 aluminum lake68921-42-692 % 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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