chempirical

Nuclear fast red

C14H8NNaO7SCAS 6409-77-4357.27 g/mol

Open in Covalent MOL file
NH2HOSO−OOHOOONa+
KetonePhenolPrimary amineSulfonic acid

Properties

Molecular formula
C14H8NNaO7S
Molar mass
357.27 g/mol
Exact mass
356.9919 Da
logP
0.32Crippen estimate
Polar surface area
155.0 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
1

Identifiers

CAS number
6409-77-4
SMILES
Nc1c(O)c(S([O-])(=O)=O)c(O)c2C(=O)c3ccccc3C(=O)c12.[Na+]
InChIKey
IMHHZEAFNULQIU-UHFFFAOYSA-N
InChI
InChI=1S/C14H9NO7S.Na/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);

Weigh it out

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

Names and synonyms

11 names
  • 2-Anthracenesulfonic acid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, sodium salt (1:1)
  • 2-Anthracenesulfonic acid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, monosodium salt
  • C.I. 60760
  • Helio fast rubine BBL
  • Kernechtrot
  • Nuclear Fast Red (acid dye)
  • Sodium 1,3-dihydroxy-4-aminoanthraquinone-2-sulfonate
  • Helioechtrubin
  • Calciumrot
  • Helioechtrubin BBL
  • Calcium red

Work with Nuclear fast red

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

Alizarin red S130-22-357 % similar Sodium 1-amino-4-bromoanthraquinone-2-sulfonate6258-06-657 % similar Acid blue 256408-78-253 % similar Sodium anthraquinone-1-sulfonate128-56-351 % similar C.I. Mordant black 131324-21-651 % similar Acid blue 624368-56-349 % similar Disodium 9,10-dioxoanthracene-1,5-disulfonate(2-)853-35-048 % similar Acid blue 406424-85-747 % similar

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

Elsewhere

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