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Molecule
Ammonium Alum
CAS: 7784-25-0 · H5AlNO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7784-25-0
- Molecular Formula
- H5AlNO4S
- Molecular Mass
- 142.09 g/mol
Identifiers
CAS Registry Number
7784-25-0
SMILES
N.O=S(=O)(O)O.[Al]
InChI Key
JBDDAQMOLJDTEO-UHFFFAOYSA-N
InChI
InChI=1S/Al.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)
Names and Synonyms
- Ammonium Alum Common Name
- Sulfuric acid, aluminum ammonium salt (2:1:1) Synonym
- Aluminum ammonium sulfate (Al(NH4)(SO4)2) Synonym
- Alum ammonium Synonym
- Burnt ammonium alum Synonym
- Exsiccated ammonium alum Synonym
- Ammonium aluminum alum Synonym
- Ammonium alum Synonym
- Monoammonium monoaluminum sulfate Synonym
- Aluminum ammonium alum Synonym
- Aluminum ammonium disulfate (Al(NH4)(SO4)2) Synonym
- Curb Synonym
- Aluminum sulfate compd. with ammonium sulfate (1:1) Synonym
- Ammonium aluminum sulfate (NH4Al(SO4)2) Synonym
- Aluminum ammonium bis(sulfate) Synonym
- Ammonium aluminum sulfate Synonym
- Aluminum ammonium sulfate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.09 g/mol | CAS Common Chemistry |
| 142.09199999999998 g/mol | RDKit | |
| 142.092 g/mol | RDKit | |
| 145.109 g/mol | chempirical lib | |
| Density | 2.45 g/cm³ | CAS Common Chemistry |
| 2.45 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_alum | CAS Common Chemistry |
| Canonical SMILES | [Al].O=S(=O)(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/Al.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=JBDDAQMOLJDTEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94.5 °C | CAS Common Chemistry |
| Name | Ammonium aluminum sulfate | CAS Common Chemistry |
| Ammonium alum | CAS Common Chemistry | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 109.60000000000001 Ų | RDKit |
| 109.6 Ų | RDKit | |
| 118.6 Ų | chempirical lib | |
| LogP | -0.8715999999999999 | RDKit |
| -0.8716 | RDKit | |
| Molar Refractivity | 24.953500000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 141.97546727 g/mol | RDKit |
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 |
|---|
200 ppm
180
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140
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100
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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
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MW = 142.09 g/mol; density = 2.450 g/mL. Edit any field — others recompute live.
