chempirical

C.I. Mordant black 13

C26H16N2Na2O9S2CAS 1324-21-6610.52 g/mol

Open in Covalent MOL file
OOHNSOOO−NHSOOO−HONa+Na+
KetonePhenolSecondary amineSulfonic acid

Properties

Molecular formula
C26H16N2Na2O9S2
Molar mass
610.52 g/mol
Exact mass
610.0093 Da
logP
-2.53Crippen estimate
Polar surface area
192.8 Ų
H-bond donors / acceptors
3 / 11
Rotatable bonds
6

Identifiers

CAS number
1324-21-6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)[O-])NC5=CC=C(C=C5)S(=O)(=O)[O-])O.[Na+].[Na+]
InChIKey
VBUCPERXCODTAQ-UHFFFAOYSA-L
InChI
InChI=1S/C26H18N2O9S2.2Na/c29-24-18-3-1-2-4-19(18)25(30)23-22(24)20(27-14-5-9-16(10-6-14)38(32,33)34)13-21(26(23)31)28-15-7-11-17(12-8-15)39(35,36)37;;/h1-13,27-28,31H,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

Weigh it out

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

Names and synonyms

35 names · show all
  • C.I. Mordant Black 13, disodium salt
  • C.I. 63615
  • Ahcoquinone blue black B
  • Alizachrome blue black B
  • Alizarine blue black B
  • Alizarine blue black 3B
  • Alizarine blue black BA
  • Alizarine blue black 3BA
  • Alizarine blue black BA ex
  • Alizarine blue black BG
  • Alizarine blue black BX
  • Alizarine blue black MB
  • Alizarine blue black RA
  • Alizarine chrome grey B
  • Alizarine chrome grey BS
  • Calcochrome alizarine blue black B
  • Chrome blue black B
  • Diamond chrome blue black B
  • Diamond chrome blue black PB
  • Eriochromal grey AB
  • Eriochrome grey AB
  • Eriochrome grey ABE
  • Fenakrom fast blue black B
  • Java alizarine blue black B
  • Mitsui alizarine black PB
  • Monochrome blue black B
  • Orthochrome grey B
  • Palizarine blue black BA
  • Palizarine blue black BR
  • Solway blue black B
  • Solway blue black BA
  • Synchromate blue black B
  • 9,10-Anthracenedione, hydroxybis(phenylamino)-, sulfonated, sodium salt
  • Mordant black 13
  • Orbokrom blue black B

Work with C.I. Mordant black 13

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 256408-78-259 % similar Acid blue 406424-85-755 % similar Alizarin red S130-22-355 % similar Sodium 2-anthraquinonesulfonate131-08-853 % similar Sodium diphenylamine-4-sulfonate6152-67-651 % similar Nuclear fast red6409-77-451 % similar Acid green 254403-90-150 % similar C.I. Acid violet 434430-18-649 % similar

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

Elsewhere

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