chempirical

Azure B

C15H16ClN3SCAS 531-55-5305.82 g/mol

Open in Covalent MOL file
NHNNS+Cl−
Secondary amineTertiary amine

Properties

Molecular formula
C15H16ClN3S
Molar mass
305.82 g/mol
Exact mass
305.0753 Da
logP
0.84Crippen estimate
Polar surface area
28.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
531-55-5
SMILES
CNc1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Cl-]
InChIKey
KFZNPGQYVZZSNV-UHFFFAOYSA-M
InChI
InChI=1S/C15H16N3S.ClH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1

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

Names and synonyms

10 names
  • Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride (1:1)
  • Phenothiazin-5-ium, 3-(dimethylamino)-7-(methylamino)-, chloride
  • Trimethylthionine
  • C.I. 52010
  • Methylene azure
  • Azure I
  • Azur I
  • 3-Methylamino-7-dimethylaminophenazathionium chloride
  • Trimethylthionine chloride
  • Azure B chloride

Work with Azure B

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

Azure ii37247-10-2100 % similar Methylene blue61-73-476 % similar Methylene blue trihydrate7220-79-370 % similar Azure A531-53-364 % similar Azure C531-57-764 % similar Thionine581-64-641 % similar N,N,N′,N′-Tetramethylacridine-3,6-diamine monohydrochloride compd. with zinc dichloride10127-02-341 % similar Acridine orange494-38-240 % similar

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

Same formula

Toluidine blue92-31-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook