Pyronine b | SBID = 150 | Compound | Pubchem logo

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 15.5
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C21H27ClN2O
M / g/mol: 358.91
Complexity: 530.0
Number of Conformers: 0.0

Identifiers

  • Tags: aromatic, typical guest, dye, charged
  • Name: Pyronine b
  • Preferred Abbreviation: Pyronine b
  • IUPAC Name: [6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride
  • CAS: 2150-48-3
  • CID: 16524
  • InChiKey: CXZRDVVUVDYSCQ-UHFFFAOYSA-M
  • InChi: InChI=1S/C21H27N2O.ClH/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
  • CanoSmiles: CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]
  • IsoSmiles: CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]