1-tetramethylammonium Ferrocene | SBID = 2434 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.45
Charge: 3.0
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: C16H26FeN+++
M / g/mol: 288.22934
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1-tetramethylammonium Ferrocene
  • Preferred Abbreviation: 1-tetramethylammonium Ferrocene
  • IUPAC Name:
  • CAS:
  • CID: -1035
  • InChiKey: FKLPXPCCDCVPEW-UHFFFAOYSA-N
  • InChi: InChI=1S/C9H15N.C5H5.2CH3.Fe/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;;/h4-7H,8H2,1-3H3;1-5H;2*1H3;/q+1;;;;+2
  • CanoSmiles: [CH]1C=CC=C1.C[N+](CC1=CC=C[CH]1)(C)C.C[Fe+2]C
  • IsoSmiles: C[N+](C)(C)Cc1cccc1.C[Fe+2]C.c2cccc2