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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
Names and Synonyms:
Ammonium Alum
Sulfuric acid, aluminum ammonium salt (2:1:1)
Aluminum ammonium sulfate (Al(NH4)(SO4)2)
Alum ammonium
Burnt ammonium alum
Exsiccated ammonium alum
Ammonium aluminum alum
Ammonium alum
Monoammonium monoaluminum sulfate
Aluminum ammonium alum
Aluminum ammonium disulfate (Al(NH4)(SO4)2)
Curb
Aluminum sulfate compd. with ammonium sulfate (1:1)
Ammonium aluminum sulfate (NH4Al(SO4)2)
Aluminum ammonium bis(sulfate)
Ammonium aluminum sulfate
Aluminum ammonium sulfate
Identifiers:
SMILES:
N.O=S(=O)(O)O.[Al]
InChI:
InChI=1S/Al.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4)
Key Properties
Melting Point
94.5 °C
CAS Common Chemistry
Density
2.45 g/cm³
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 | 142.09 g/mol | CAS Common Chemistry |
| 142.09199999999998 g/mol | RDKit | |
| 141.97546727 g/mol | RDKit | |
| Density | 2.45 g/cm³ | CAS Common Chemistry |
| 2.45 g/cm3 @ Temp: 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 |
| LogP | -0.8715999999999999 | RDKit |
| Molar Refractivity | 24.953500000000005 | RDKit |
