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Molecule
Ammonium Hexafluoroaluminate
CAS: 7784-19-2 · H12AlF6N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7784-19-2
- Molecular Formula
- H12AlF6N3
- Molecular Mass
- 195.09 g/mol
Identifiers
CAS Registry Number
7784-19-2
SMILES
F.F.F.N.N.N.[Al+3].[F-].[F-].[F-]
InChI Key
OYHBNKHFKHBTRQ-UHFFFAOYSA-K
InChI
InChI=1S/Al.6FH.3H3N/h;6*1H;3*1H3/q+3;;;;;;;;;/p-3
Names and Synonyms
- Ammonium Hexafluoroaluminate Common Name
- Aluminate(3-), hexafluoro-, ammonium (1:3), (OC-6-11)- Synonym
- Aluminate(3-), hexafluoro-, triammonium Synonym
- Aluminate(3-), hexafluoro-, triammonium, (OC-6-11)- Synonym
- Ammonium hexafluoroaluminate Synonym
- Ammonium aluminum fluoride Synonym
- Triammonium hexafluoroaluminate Synonym
- Ammonium hexafluoroaluminate ((NH4)3AlF6) Synonym
- Triammonium hexafluoroaluminate(3-) Synonym
- Aluminum ammonium fluoride (Al(NH4)3F6) Synonym
- Triammonium aluminum hexafluoride Synonym
- NSC 310006 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.09 g/mol | CAS Common Chemistry |
| 195.087 g/mol | RDKit | |
| 201.135 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_hexafluoroaluminate | CAS Common Chemistry |
| Canonical SMILES | [F-][Al+3]([F-])([F-])([F-])([F-])[F-].[NH4+] | CAS Common Chemistry |
| InChI | InChI=1S/Al.6FH.3H3N/h;6*1H;3*1H3/q+3;;;;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=OYHBNKHFKHBTRQ-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Aluminate(3-), hexafluoro-, ammonium (1:3), (OC-6-11)- | CAS Common Chemistry |
| Ammonium hexafluoroaluminate | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.0 Ų | RDKit |
| LogP | -8.4253 | RDKit |
| Molar Refractivity | 28.329300000000014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.075080334 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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 = 195.09 g/mol. Edit any field — others recompute live.
