N,N,N-trimethylanthracen-2-aminium chloride | SBID = 2362 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 5.02
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C17H18ClN
M / g/mol: 271.78452
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye
  • Name: N,N,N-trimethylanthracen-2-aminium chloride
  • Preferred Abbreviation: AntNMe3.Cl
  • IUPAC Name:
  • CAS:
  • CID: -987
  • InChiKey: LNRKZQNZPHQEHU-UHFFFAOYSA-M
  • InChi: InChI=1S/C17H18N.ClH/c1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17;/h4-12H,1-3H3;1H/q+1;/p-1
  • CanoSmiles: C[N+](c1ccc2c(c1)cc1c(c2)cccc1)(C)C.[Cl-]
  • IsoSmiles: C[N+](C)(C)C1=CC=C2C=C3C=CC=CC3=CC2=C1.[Cl-]