chempirical

Direct blue 6

C32H20N6Na4O14S4CAS 2602-46-2932.74 g/mol

Open in Covalent MOL file
NH2SO−OOSO−OONNNNOHNH2SO−OOSO−OOOHNa+Na+Na+Na+
AlcoholPrimary AmineSulfone

Properties

Molecular formula
C32H20N6Na4O14S4
Molar mass
932.74 g/mol
Exact mass
931.9511 Da
logP
4.53Crippen estimate
Polar surface area
359.4 Ų
H-bond donors / acceptors
8 / 16
Rotatable bonds
9

Identifiers

CAS number
2602-46-2
SMILES
Nc1cc(S([O-])(=O)=O)cc2cc(S([O-])(=O)=O)c(N=Nc3ccc(-c4ccc(N=Nc5c(O)c6c(N)cc(S([O-])(=O)=O)cc6cc5S([O-])(=O)=O)cc4)cc3)c(O)c12.[Na+].[Na+].[Na+].[Na+]
InChIKey
UKVHXSMZSGUHFZ-UHFFFAOYSA-N
InChI
InChI=1S/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40;;;;/h1-14,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;

Weigh it out

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

Names and synonyms

63 names · show all
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4)
  • C.I. Direct blue 6
  • C.I. Direct Blue 6, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 3,3′-[[1,1′-biphenyl]-4,4′-diylbis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt
  • 1-Naphthol-3,6-disulfonic acid, 2,2′-(4,4′-biphenylylenebisazo)bis[8-amino-, tetrasodium salt
  • Blue 2B
  • C.I. 22610
  • Airedale blue 2BD
  • Aizen direct blue 2BH
  • Amanil blue 2BX
  • Atlantic blue 2B
  • Atul direct blue 2B
  • Azocard blue 2B
  • Azomine blue 2B
  • Belamine blue 2B
  • Bencidal blue 2B
  • Benzanil blue 2B
  • Benzo blue BBA-CF
  • Benzo blue BBN-CF
  • Benzo blue GS
  • Blue 2B salt
  • Brasilamina blue 2B
  • Calcomine blue 2B
  • Chloramine blue 2B
  • Chlorazol blue B
  • Chlorazol blue BP
  • Chrome leather blue 2B
  • Cresotine blue 2B
  • Diacotton blue BB
  • Diamine blue 2B
  • Diamine blue BB
  • Diaphtamine blue BB
  • Diazine blue 2B
  • Diazol blue 2B
  • Diphenyl blue M 2B
  • Diphenyl blue 2B
  • Diphenyl blue KF
  • Direct blue A
  • Direct blue M 2B
  • Direct blue 2B
  • Direct blue GS
  • Enianil blue 2BN
  • Fenamin blue 2B
  • Fixanol blue 2B
  • Hispamin blue 2B
  • Indigo blue 2B
  • Kayaku direct blue BB
  • Mitsui direct blue 2BN
  • Naphtamine blue 2B
  • Nippon blue BB
  • Paramine blue 2B
  • Phenamine blue BB
  • Pheno blue 2B
  • Pontamine blue BB
  • Tertrodirect blue 2B
  • Vondacel blue 2B
  • Niagara blue 2B
  • Direct blue K
  • Direct blue BB
  • Benzo blue 2B
  • Direct sky blue K
  • Diamine blue
  • Direct blue 2BA

Work with Direct blue 6

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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