(S)-N,N-Dimethyl-1-ferrocenylethylamine | SBID = 232 | Compound |
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: (S)-N,N-Dimethyl-1-ferrocenylethylamine
- Preferred Abbreviation: (S)-N,N-Dimethyl-1-ferrocenylethylamine
- IUPAC Name: cyclopenta-1,3-diene;(1S)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron(2+)
- CAS: 31886-57-4
- CID: 15204302
- InChiKey: UNMQCGHIBZALKM-JZGIKJSDSA-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-;;/m0../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]
