chempirical

Evan'S blue

C34H24N6Na4O14S4CAS 314-13-6960.79 g/mol

Open in Covalent MOL file
NNSO−OOSO−OOH2NHONNSO−OOSO−OONH2OHNa+Na+Na+Na+
AzoPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C34H24N6Na4O14S4
Molar mass
960.79 g/mol
Exact mass
959.9824 Da
logP
5.15Crippen estimate
Polar surface area
359.4 Ų
H-bond donors / acceptors
8 / 16
Rotatable bonds
9

Identifiers

CAS number
314-13-6
SMILES
Cc1cc(-c2ccc(N=Nc3ccc4c(S([O-])(=O)=O)cc(S([O-])(=O)=O)c(N)c4c3O)c(C)c2)ccc1N=Nc1ccc2c(S([O-])(=O)=O)cc(S([O-])(=O)=O)c(N)c2c1O.[Na+].[Na+].[Na+].[Na+]
InChIKey
WWWSEHAFEUPVKD-UHFFFAOYSA-N
InChI
InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;

Weigh it out

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

Names and synonyms

11 names
  • 1,3-Naphthalenedisulfonic acid, 6,6′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[4-amino-5-hydroxy-, sodium salt (1:4)
  • Azovan blue
  • C.I. Direct Blue 53, tetrasodium salt
  • 1,3-Naphthalenedisulfonic acid, 6,6′-[(3,3′-dimethyl[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[4-amino-5-hydroxy-, tetrasodium salt
  • T 1824
  • C.I. 23860
  • 4,4′-Bis[7-(1-amino-8-hydroxy-2,4-disulfo)naphthylazo]-3,3′-bitolyl tetrasodium salt
  • Diazol pure blue BF
  • Evans blue
  • C.I. Direct blue 53
  • Direct blue 53

Work with Evan'S blue

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

Scarlet gn4548-53-251 % similar Ponceau 3R3564-09-846 % similar Congo red573-58-044 % similar 8-Amino-1-naphthol-5,7-disulfonic acid monosodium salt52789-62-544 % similar Azorubine3567-69-944 % similar Tetrasodium 1,3,6,8-pyrenetetrasulfonate59572-10-043 % similar Pyranine6358-69-643 % similar Direct blue 152429-74-543 % similar

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

Same formula

Trypan blue72-57-1

Elsewhere

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