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Molecule
Tetramethylammonium Hexafluorophosphate
CAS: 558-32-7 · C4H12F6NP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 558-32-7
- Molecular Formula
- C4H12F6NP
- Molecular Mass
- 219.11 g/mol
Identifiers
CAS Registry Number
558-32-7
SMILES
C[N+](C)(C)C.F[P-](F)(F)(F)(F)F
InChI Key
ZFKULDQWLXAKIM-UHFFFAOYSA-N
InChI
InChI=1S/C4H12N.F6P/c1-5(2,3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
Names and Synonyms
- Tetramethylammonium Hexafluorophosphate Synonym
- Methanaminium, N,N,N-trimethyl-, hexafluorophosphate(1-) (1:1) Synonym
- Ammonium, tetramethyl-, hexafluorophosphate(1-) Synonym
- Tetramethylammonium hexafluorophosphate Synonym
- Methanaminium, N,N,N-trimethyl-, hexafluorophosphate(1-) Synonym
- Phosphate(1-), hexafluoro-, tetramethylammonium Synonym
- Phosphate(1-), hexafluoro-, N,N,N-trimethylmethanaminium Synonym
- Tetramethylammonium hexafluorophosphate(1-) Synonym
- NSC 221175 Synonym
- [Me4N][PF6] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.11 g/mol | CAS Common Chemistry |
| 219.10899999999995 g/mol | RDKit | |
| 219.109 g/mol | RDKit | |
| Canonical SMILES | [F-][P+5]([F-])([F-])([F-])([F-])[F-].C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N.F6P/c1-5(2,3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZFKULDQWLXAKIM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >250 °C | CAS Common Chemistry |
| Name | Tetramethylammonium hexafluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 3.7048000000000023 | RDKit |
| 3.7048 | RDKit | |
| Molar Refractivity | 37.52440000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 219.06115533399998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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
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MW = 219.11 g/mol. Edit any field — others recompute live.
