N,N'-bis(2-dimethylammonioethyl)-Naphthalene diimide | SBID = 2124 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 78.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.2
Charge: 2.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C22H25N4O4+
M / g/mol: 409.46
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N'-bis(2-dimethylammonioethyl)-Naphthalene diimide
  • Preferred Abbreviation: DMAE-NDI dication
  • IUPAC Name:
  • CAS:
  • CID: -936
  • InChiKey:
  • InChi:
  • CanoSmiles: O=C(N3CC[N+](C)([H])C)C1=C(C(C3=O)=CC=C2C4=O)C2=C(C(N4CC[N+](C)([H])C)=O)C=C1
  • IsoSmiles: O=C(N3CC[N+](C)([H])C)C1=C(C(C3=O)=CC=C2C4=O)C2=C(C(N4CC[N+](C)([H])C)=O)C=C1