(Trimethylamino)methyl)ferrocene | SBID = 462 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 6
PubChem TPSA/Å2: 0.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C14H20FeN+
M / g/mol: 258.16
Complexity: 159.0
Number of Conformers: 0.0

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: (Trimethylamino)methyl)ferrocene
  • Preferred Abbreviation: [(trimethylammonio)methyl]ferrocene
  • IUPAC Name: cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-ylmethyl(trimethyl)azanium;iron(2+)
  • CAS:
  • CID: 3769940
  • InChiKey: HIYMHQJFHVEJNB-UHFFFAOYSA-N
  • InChi: InChI=1S/C9H15N.C5H5.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;/q;-1;+2
  • CanoSmiles: C[N+](C)(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]
  • IsoSmiles: C[N+](C)(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]