(R)-N,N-Dimethyl-1-ferrocenylethylamine | SBID = 223 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 3.2
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3:
Sum Formula: C14H19FeN
M / g/mol: 257.158
Complexity: 155.0
Number of Conformers: 0.0

Identifiers

  • Tags: typical guest
  • Name: (R)-N,N-Dimethyl-1-ferrocenylethylamine
  • Preferred Abbreviation: (R)-N,N-Dimethyl-1-ferrocenylethylamine
  • IUPAC Name: cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron(2+)
  • CAS: 31886-58-5
  • CID: 15204301
  • InChiKey: UNMQCGHIBZALKM-YCBDHFTFSA-N
  • InChi: InChI=1S/C9H14N.C5H5.Fe/c1-8(10(2)3)9-6-4-5-7-9;1-2-4-5-3-1;/h4-8H,1-3H3;1-5H;/q2*-1;+2/t8-;;/m1../s1
  • CanoSmiles: CC(C1=CC=C[CH-]1)N(C)C.[CH-]1C=CC=C1.[Fe+2]
  • IsoSmiles: C[C@H](C1=CC=C[CH-]1)N(C)C.[CH-]1C=CC=C1.[Fe+2]