Tetrabutylammonium 4-nitrobenzoate | SBID = 1965 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 86.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C23H40N2O4 | ||
| M / g/mol: | 408.6 | ||
| Complexity: | 301.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: aromatic, typical guest, charged
- Name: Tetrabutylammonium 4-nitrobenzoate
- Preferred Abbreviation: Tetrabutylammonium 4-nitrobenzoate
- IUPAC Name: 4-nitrobenzoate;tetrabutylazanium
- CAS:
- CID: 15866059
- InChiKey: ZWGKMOKGJJVWMZ-UHFFFAOYSA-M
- InChi: InChI=1S/C16H36N.C7H5NO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-7(10)5-1-3-6(4-2-5)8(11)12/h5-16H2,1-4H3;1-4H,(H,9,10)/q+1;/p-1
- CanoSmiles: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]
- IsoSmiles: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]
