Azure A | SBID = 191 | Compound | Pubchem logo

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 66.7
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C14H14ClN3S
M / g/mol: 291.797
Complexity: 483.0
Number of Conformers: 0.0

Identifiers

  • Tags: aromatic, typical guest, dye, charged
  • Name: Azure A
  • Preferred Abbreviation: Azure A
  • IUPAC Name: (7-aminophenothiazin-3-ylidene)-dimethylazanium;chloride
  • CAS: 531-53-3
  • CID: 13735
  • InChiKey: NALREUIWICQLPS-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H13N3S.ClH/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12;/h3-8,15H,1-2H3;1H
  • CanoSmiles: C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1)C.[Cl-]
  • IsoSmiles: C[N+](=C1C=CC2=NC3=C(C=C(C=C3)N)SC2=C1)C.[Cl-]