Acid blue 40

C22H16N3NaO6SCAS 6424-85-7473.43 g/mol

Open in Covalent MOL file
OHNNHSO−OONH2OONa+
AmideKetonePrimary amineSecondary amineSulfonic acid

Properties

Molecular formula
C22H16N3NaO6S
Molar mass
473.43 g/mol
Exact mass
473.0658 Da
Melting point
above 300 °C
logP
-0.35Crippen estimate
Polar surface area
158.5 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6424-85-7
SMILES
CC(=O)Nc1ccc(Nc2cc(S([O-])(=O)=O)c(N)c3C(=O)c4ccccc4C(=O)c23)cc1.[Na+]
InChIKey
NTOOJLUHUFUGQI-UHFFFAOYSA-M
InChI
InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1

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

Names and synonyms

93 names · show all
  • 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
  • 2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
  • 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
  • 2-Anthracenesulfonic acid, 4-(p-acetamidoanilino)-1-amino-9,10-dihydro-9,10-dioxo-, sodium salt
  • C.I. 62125
  • Acid alizarine blue A 2G
  • Acid alizarine sapphire 2JL
  • Acidine fast blue ADG
  • Ahcoquinone blue A 2G
  • Alizarine blue A 2G
  • Alizarine blue AGG
  • Alizarine direct blue AGG
  • Alizarine direct blue AGG-CF
  • Alizarine light blue 2G
  • Alizarine light blue 2GH
  • Alizarine light blue 2GL
  • Anthralan blue G
  • Anthraquinone blue 2GAN
  • Aquamine blue GL
  • Calcocid alizarine blue A 2G
  • C.I. Acid blue 40
  • Curol blue an
  • Erio anthracene brilliant blue 2GL
  • Erio fast blue 2GL
  • Erionyl blue E 2GL
  • Fenalan blue G
  • Kayacyl blue AGG
  • Kayaku alizarine blue AGG
  • Kiton fast blue 2GL
  • Lanaperl blue G
  • Merpacyl blue 2GA
  • Mitsui alizarine direct blue AGG
  • Nylomine acid blue B 3G
  • Propolan blue 2GX
  • Solanol blue G
  • Solway blue 2G
  • Suminol fast blue AGG
  • Suminol levelling blue AGG
  • Superian blue 2G
  • Unitertracid blue GGL
  • Unitertracid fast blue GGL
  • 4-(p-Acetamidoanilino)-1-amino-2-anthraquinonesulfonic acid monosodium salt
  • Sodium 1-amino-4-(4-acetamidoanilino)anthraquinone-2-sulfonate
  • C.I. Acid Blue 40 sodium salt
  • Alizarine direct blue A 2G
  • Telon light blue GGL
  • Acid fast blue 2G
  • Acid alizarine blue 2G
  • Alizarine azurol A 2G
  • Egacid blue A 2G
  • Kayanol blue N 2G
  • Orbacid fast blue AGL
  • Nylosan blue E 2GL
  • Telon blue GGLL
  • Aminyl blue E 2GL
  • Acid brilliant blue 2GB
  • Acid blue 2GL
  • Vicoacid blue 40
  • Acid blue 2G
  • Acid blue E 2G
  • Rifa acid fast blue E-AGG
  • Dycosacid brilliant blue 2GB
  • Covanyl blue KGL
  • Acid blue AGG
  • Triacid light blue 2G
  • Superlan blue 2G
  • Relon blue 2G
  • Selmacid blue E 2GL
  • Kenamide blue G 3G
  • Apollo nylon fast blue A 2G
  • Dyacid blue 2G
  • Daedo acid blue 3AGG
  • Acid blue A 2G243
  • Conacid blue DO
  • Acid blue A 2G
  • Concorde acid blue N 2G
  • Colocid blue E 2G
  • Everacid blue A 2G
  • Suracid blue 2G
  • Everacid levelling blue A 2G
  • Elbenyl blue B 2G
  • Lerui acid blue E 2GL
  • Daedo acid blue C-AGG
  • Fabracid blue A 2G
  • Eniacid light blue E 2GA
  • Multacid blue 2G
  • Naphthazine blue KGL
  • Sellanyl blue E 2GL
  • Best acid blue N 2G
  • Eniamide blue E 2GA
  • Dinacid alizarine blue AZG
  • Nylosan blue E 2GL 200
  • Weak acid blue 2G

Work with Acid blue 40

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 256408-78-280 % similar Acid blue 624368-56-360 % similar Sodium 1-amino-4-bromoanthraquinone-2-sulfonate6258-06-658 % similar Remazol brilliant blue R2580-78-158 % similar N-[4-[(9,10-Dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]acetamide67905-17-352 % similar Acid green 254403-90-151 % similar Acid blue 804474-24-248 % similar Nuclear fast red6409-77-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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