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Molecule
Tetramethylammonium Tetrafluoroborate
CAS: 661-36-9 · C4H12BF4N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 661-36-9
- Molecular Formula
- C4H12BF4N
- Molecular Mass
- 160.95 g/mol
Identifiers
CAS Registry Number
661-36-9
SMILES
C[N+](C)(C)C.F[B-](F)(F)F
InChI Key
XWFABLFRYCHILB-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
Names and Synonyms
- Tetramethylammonium Tetrafluoroborate Synonym
- Methanaminium, N,N,N-trimethyl-, tetrafluoroborate(1-) (1:1) Synonym
- Ammonium, tetramethyl-, tetrafluoroborate(1-) Synonym
- Methanaminium, N,N,N-trimethyl-, tetrafluoroborate(1-) Synonym
- Tetramethylammonium fluoroborate Synonym
- Ammonium compounds, substituted, tetramethyl-, tetrafluoroborate Synonym
- Borate(1-), tetrafluoro-, tetramethylammonium Synonym
- Borate(1-), tetrafluoro-, N,N,N-trimethylmethanaminium Synonym
- Tetramethylammonium tetrafluoroborate Synonym
- Tetramethylammonium tetrafluoroborate(1-) Synonym
- [Me4N][BF4] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.95 g/mol | CAS Common Chemistry |
| 160.951 g/mol | RDKit | |
| 161.09989266399998 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=XWFABLFRYCHILB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 310 °C | CAS Common Chemistry |
| Name | Tetramethylammonium tetrafluoroborate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.6224 | RDKit |
| Molar Refractivity | 34.142399999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 160.949 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 160.95 g/mol. Edit any field — others recompute live.
