N-Methylacridinium iodide | SBID = 1892 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H12IN
M / g/mol: 321.15625
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest
  • Name: N-Methylacridinium iodide
  • Preferred Abbreviation: N-Methylacridinium iodide
  • IUPAC Name:
  • CAS: 948-43-6
  • CID: -804
  • InChiKey: BJHOZJGCQBGXHT-UHFFFAOYSA-M
  • InChi: InChI=1S/C14H12N.HI/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;/h2-10H,1H3;1H/q+1;/p-1
  • CanoSmiles: C[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.[I-]
  • IsoSmiles: C[N+]1=C2C=CC=CC2=CC3=CC=CC=C31.[I-]