safranin O | SBID = 1895 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C20H19ClN4
M / g/mol: 350.84466
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye
  • Name: safranin O
  • Preferred Abbreviation: safranin O
  • IUPAC Name: Phenazinium, 3,7-diamino-2,8-dimethyl-5-phenyl-, chloride (9CI)
  • CAS: 477-73-6
  • CID: -806
  • InChiKey: PVCWSRSLDDAIOL-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H20N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11,17,19,22H,21H2,1-2H3;1H
  • CanoSmiles: NC1=CC2=[N+](C3=CC=CC=C3)C(C=C(N)C(C)=C4)C4N=C2C=C1C.[Cl-]
  • IsoSmiles: NC1=CC2=[N+](C3=CC=CC=C3)C(C=C(N)C(C)=C4)C4N=C2C=C1C.[Cl-]