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Tetramethylammonium Hexafluorophosphate
CAS: 558-32-7 | C4H12F6NP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
558-32-7
Molecular Formula:
C4H12F6NP
Molecular Mass:
219.11 g/mol
Names and Synonyms:
Tetramethylammonium Hexafluorophosphate
Methanaminium, N,N,N-trimethyl-, hexafluorophosphate(1-) (1:1)
Ammonium, tetramethyl-, hexafluorophosphate(1-)
Tetramethylammonium hexafluorophosphate
Methanaminium, N,N,N-trimethyl-, hexafluorophosphate(1-)
Phosphate(1-), hexafluoro-, tetramethylammonium
Phosphate(1-), hexafluoro-, N,N,N-trimethylmethanaminium
Tetramethylammonium hexafluorophosphate(1-)
NSC 221175
[Me4N][PF6]
Identifiers:
SMILES:
C[N+](C)(C)C.F[P-](F)(F)(F)(F)F
InChI:
InChI=1S/C4H12N.F6P/c1-5(2,3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
Key Properties
Melting Point
>250 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.11 g/mol | CAS Common Chemistry |
| 219.10899999999995 g/mol | RDKit | |
| 219.06115533399998 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 |
| Molar Refractivity | 37.52440000000001 | RDKit |
