chempirical

Azure A

C14H14ClN3SCAS 531-53-3291.80 g/mol

Open in Covalent MOL file
NNNH2S+Cl−
Primary amineTertiary amine

Properties

Molecular formula
C14H14ClN3S
Molar mass
291.80 g/mol
Exact mass
291.0597 Da
logP
0.38Crippen estimate
Polar surface area
42.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
531-53-3
SMILES
CN(C)c1ccc2nc3ccc(N)cc3[s+]c2c1.[Cl-]
InChIKey
PGWTYMLATMNCCZ-UHFFFAOYSA-M
InChI
InChI=1S/C14H14N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8H,15H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

10 names
  • Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-, chloride (1:1)
  • Phenothiazin-5-ium, 3-amino-7-(dimethylamino)-, chloride
  • 3-Amino-7-(dimethylamino)phenazathionium chloride
  • 5-Chloro-3-dimethylamino-7-amino-5H-phenothiazine
  • N,N-Dimethylthionine
  • C.I. 52005
  • Azure A dye
  • Azure A chloride
  • Azure blue cert
  • 3-Amino-7-dimethylaminophenothiazin-5-ium chloride

Work with Azure A

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

Methylene blue61-73-480 % similar Methylene blue trihydrate7220-79-374 % similar Thionine581-64-671 % similar Toluidine blue92-31-967 % similar Azure ii37247-10-264 % similar Azure B531-55-564 % similar Azure C531-57-759 % similar Thionine acetate78338-22-450 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia