chempirical

Acid blue 260

C31H26N3NaO6SCAS 62168-86-9591.61 g/mol

Open in Covalent MOL file
NHONHOONH2SOOO−Na+
AmideKetonePrimary amineSecondary amineSulfonic acid

Properties

Molecular formula
C31H26N3NaO6S
Molar mass
591.61 g/mol
Exact mass
591.1440 Da
logP
1.55Crippen estimate
Polar surface area
158.5 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
6

Hazards

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

Identifiers

CAS number
62168-86-9
SMILES
CC1=CC(=C(C(=C1CNC(=O)C2=CC=CC=C2)C)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])C.[Na+]
InChIKey
OFHDOLUPOLKDSG-UHFFFAOYSA-M
InChI
InChI=1S/C31H27N3O6S.Na/c1-16-13-17(2)28(18(3)22(16)15-33-31(37)19-9-5-4-6-10-19)34-23-14-24(41(38,39)40)27(32)26-25(23)29(35)20-11-7-8-12-21(20)30(26)36;/h4-14,34H,15,32H2,1-3H3,(H,33,37)(H,38,39,40);/q;+1/p-1

Weigh it out

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

Names and synonyms

11 names
  • C.I. Acid blue 260
  • Erionyl blue RL
  • Erionyl blue A-R
  • Irgaderm blue M
  • Irgaderm blue M 207
  • Best acid brilliant blue RL
  • Eukesolar brilliant blue
  • Triacid fast blue RL
  • Everacid blue RL
  • Weak acid blue RL
  • Acid brilliant blue RL

Work with Acid blue 260

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 256408-78-258 % similar Acid blue 406424-85-757 % similar Acid blue 804474-24-254 % similar Acid blue 624368-56-351 % similar Remazol brilliant blue R2580-78-146 % similar Sodium 1-amino-4-bromoanthraquinone-2-sulfonate6258-06-646 % similar Acid green 254403-90-143 % similar C.I. Acid violet 434430-18-639 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook