chempirical

Acid blue 62

C20H19N2NaO5SCAS 4368-56-3422.43 g/mol

Open in Covalent MOL file
NH2SO−OONHOONa+
KetonePrimary amineSecondary amineSulfonic acid

Properties

Molecular formula
C20H19N2NaO5S
Molar mass
422.43 g/mol
Exact mass
422.0912 Da
Melting point
above 300 °C
logP
2.65Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3

Identifiers

CAS number
4368-56-3
SMILES
Nc1c(S([O-])(=O)=O)cc(NC2CCCCC2)c2C(=O)c3ccccc3C(=O)c12.[Na+]
InChIKey
BVTRWVGASMMEGM-UHFFFAOYSA-N
InChI
InChI=1S/C20H20N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27);

Weigh it out

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

Names and synonyms

70 names · show all
  • 2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)
  • 2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-, monosodium salt
  • C.I. Acid blue 62
  • Acid alizarine pure blue R
  • Alizarine brilliant sky blue R
  • Alizarine direct pure blue R
  • Alizarine fast blue RFE
  • Alizarine sky blue R
  • Alizarine supra sky RA
  • Brilliant alizarine cyanine R
  • Brilliant alizarine light blue 3FR
  • Erio anthracene brilliant blue RFF
  • Erionyl blue E-RFF
  • Eriosin fast blue RFF
  • Fenazo light blue RA
  • Kayacyl sky blue R
  • Kayaku alizarine sky blue R
  • Suminol levelling sky blue R
  • Telon blue RRL
  • Tertracid brilliant light blue R
  • C.I. 62045
  • Alizarine supra blue R
  • 1-Amino-4-cyclohexylaminoanthraquinone-2-sodium sulfonate
  • Sodium 1-amino-4-(cyclohexylamino)-2-anthraquinonesulfonate
  • Polan navy blue E 2R
  • Alizarin blue R
  • Alizarin brilliant sky blue R
  • Nylomine blue A 2R
  • Nylanthrene brilliant blue 2RFF
  • Acid alizarine brilliant blue RN 200
  • Lissamine blue 2BR
  • Aminyl sky blue E 2RL
  • Weak acid brilliant blue 2BR
  • Weak acid blue BRN
  • Nylanthrene blue B 2RF
  • Weak acid brilliant blue R
  • Polan blue E 2R
  • Best acid sky blue R
  • Lerui acid brilliant blue P 3FRL
  • Daedo acid blue C-R
  • Suracid sky blue BR
  • Dinacid sky blue R
  • Apollo nylon fast blue L-R
  • Everacid blue RRL
  • Vopsider blue AIR
  • Allilon acid blue B 2R
  • Conacid blue KB
  • Acid blue 2BR
  • Acid fast blue IR
  • Covanyl blue CRFF
  • Dycosweak acid brilliant blue P 2R
  • Acid brilliant blue P 2R
  • Midlon blue 2R
  • Triacid light sky blue R
  • Hispalon blue B-FAR
  • Acid alizarine RN 200
  • Vicoacid blue 62
  • Hispacid blue FAR
  • Acid blue BRN
  • Concorde acid sky blue R
  • Naphthazine blue CRFF
  • Kenamide blue G 2R
  • Alizarine brilliant blue BR
  • Dyacid lt blue R
  • Acid brilliant blue BR
  • Nylosan blue E 2RL
  • Rifa acid fast blue E-R
  • Acid alizarine blue RN
  • Telon blue RR
  • Nyloset blue E 2RF

Work with Acid blue 62

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 256408-78-268 % similar Sodium 1-amino-4-bromoanthraquinone-2-sulfonate6258-06-661 % similar Acid blue 406424-85-760 % similar Remazol brilliant blue R2580-78-153 % similar Nuclear fast red6409-77-449 % similar Acid green 254403-90-148 % similar Sodium anthraquinone-1-sulfonate128-56-347 % similar Alizarin red S130-22-345 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook