Back to Search
Molecule
Tetraethylammonium Tetrafluoroborate
CAS: 429-06-1 · C8H20BF4N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 429-06-1
- Molecular Formula
- C8H20BF4N
- Molecular Mass
- 217.06 g/mol
Identifiers
CAS Registry Number
429-06-1
SMILES
CC[N+](CC)(CC)CC.F[B-](F)(F)F
InChI Key
XJRAKUDXACGCHA-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
Names and Synonyms
- Tetraethylammonium Tetrafluoroborate Synonym
- Ethanaminium, N,N,N-triethyl-, tetrafluoroborate(1-) (1:1) Synonym
- Ammonium, tetraethyl-, tetrafluoroborate(1-) Synonym
- Ethanaminium, N,N,N-triethyl-, tetrafluoroborate(1-) Synonym
- Tetraethylammonium tetrafluoroborate Synonym
- Borate(1-), tetrafluoro-, tetraethylammonium Synonym
- Borate(1-), tetrafluoro-, N,N,N-triethylethanaminium Synonym
- Tetraethylammonium tetrafluoroborate(1-) Synonym
- NSC 231537 Synonym
- Merck Supercapacitor Electrolyte LES 100 Synonym
- LES 100 Synonym
- Digirena Synonym
- Lipaste P/EAFIN Synonym
- Lipaste AN/EAF 1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 217.06 g/mol | CAS Common Chemistry |
| 217.05899999999997 g/mol | RDKit | |
| 217.16249291999998 g/mol | RDKit | |
| 217.059 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].CC[N+](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=XJRAKUDXACGCHA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 365-368 °C | CAS Common Chemistry |
| Name | Tetraethylammonium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.182800000000002 | RDKit |
| 3.1828 | RDKit | |
| Molar Refractivity | 52.61040000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 217.057 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 217.06 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H20BF4N.
