(Ferrocen-1-yl)methyltrimethylammonium | SBID = 417 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| 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): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C14H20FeIN | ||
| M / g/mol: | 385.07 | ||
| Complexity: | 107.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: metallocene, aromatic, typical guest, charged
- Name: (Ferrocen-1-yl)methyltrimethylammonium
- Preferred Abbreviation: (Ferrocen-1-yl)methyltrimethylammonium
- IUPAC Name: cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl(trimethyl)azanium;iron(2+);iodide
- CAS: 12086-40-7
- CID: 114593
- InChiKey: JIXIGMAACRMMNM-UHFFFAOYSA-M
- InChi: InChI=1S/C9H15N.C5H5.Fe.HI/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h4-7H,8H2,1-3H3;1-5H;;1H/q;-1;+2;/p-1
- CanoSmiles: C[N+](C)(C)CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2].[I-]
- IsoSmiles: C[N+](C)(C)CC1=C[CH-]C=C1.[CH-]1C=CC=C1.[Fe+2].[I-]
