chempirical

C.I. Acid black 234

C34H26N10Na2O9S3CAS 157577-99-6860.80 g/mol

Open in Covalent MOL file
H2NNNSOOHNNNH2NHONNSO−OOSO−OONH2Na+Na+
AzoPhenolPrimary amineSulfonamideSulfonic acid

Properties

Molecular formula
C34H26N10Na2O9S3
Molar mass
860.80 g/mol
Exact mass
860.0842 Da
logP
7.07Crippen estimate
Polar surface area
327.4 Ų
H-bond donors / acceptors
7 / 16
Rotatable bonds
11

Identifiers

CAS number
157577-99-6
SMILES
Nc1ccc(N=Nc2ccc(S(=O)(=O)Nc3ccc(N=Nc4c(N)c5c(O)c(N=Nc6ccccc6)c(S([O-])(=O)=O)cc5cc4S([O-])(=O)=O)cc3)cc2)c(N)c1.[Na+].[Na+]
InChIKey
OVZZRQRHDKGNRW-UHFFFAOYSA-N
InChI
InChI=1S/C34H28N10O9S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21;;/h1-18,44-45H,35-37H2,(H,48,49,50)(H,51,52,53);;

Weigh it out

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

Names and synonyms

22 names · show all
  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]sulfonyl]amino]phenyl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2)
  • 2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[[[4-[(2,4-diaminophenyl)azo]phenyl]sulfonyl]amino]phenyl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt
  • C.I. 30027
  • Acid black 234
  • Dynacid black 2N
  • Acid black NB-G
  • Formo leather black
  • Vicoacid black 234
  • Colocid black NB
  • Coriamine black NB-G
  • Kemacid black NBG
  • Acid black NB
  • Lecotan black GW
  • Apollo leather black NGRL
  • Acid black BA
  • Victalan black UX
  • Sandal acid black NB-G
  • Acid black NR
  • Dinacid black NBH
  • Acid black BG
  • Lecotan black NGS
  • Acid TSA black 234

Work with C.I. Acid black 234

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

Direct black 381937-37-781 % similar Direct black 196428-31-581 % similar Acid black NT99576-15-578 % similar Direct black 226473-13-860 % similar Amido black 10B1064-48-858 % similar Reactive black 517095-24-855 % similar Diaminogene velour black B2429-73-454 % similar Direct blue 62602-46-253 % similar

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

Elsewhere

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