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Aluminum Ammonium Sulfate Dodecahydrate
CAS: 7784-26-1 | H17AlNO10S
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
7784-26-1
Molecular Formula:
H17AlNO10S
Molecular Mass:
250.18 g/mol
Names and Synonyms:
Aluminum Ammonium Sulfate Dodecahydrate
Sulfuric acid, aluminum ammonium salt, hydrate (2:1:1:12)
Sulfuric acid, aluminum ammonium salt (2:1:1), dodecahydrate
Ammonium aluminum sulfate hydrate
Ammonium alum
Monoaluminum monoammonium disulfate dodecahydrate
Ammonia alum
Ammonium aluminum sulfate dodecahydrate
Aluminum ammonium disulfate dodecahydrate
Aluminum ammonium sulfate (Al(NH4)(SO4)2) dodecahydrate
Aluminum ammonium bis(sulfate) dodecahydrate
Ammonium alum (NH4Al(SO4)2.12H2O)
Ammonium aluminum disulfate dodecahydrate
Aluminum ammonium sulfate dodecahydrate
Identifiers:
SMILES:
N.O.O.O.O.O.O.O=S(=O)(O)O.[Al]
InChI:
InChI=1S/Al.H3N.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;1H3;(H2,1,2,3,4);6*1H2
Key Properties
Melting Point
90 °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 | 250.18 g/mol | CAS Common Chemistry |
| 250.18200000000002 g/mol | RDKit | |
| 250.038855374 g/mol | RDKit | |
| Canonical SMILES | [Al].O=S(=O)(O)O.O.N | CAS Common Chemistry |
| InChI | InChI=1S/Al.H3N.H2O4S.6H2O/c;;1-5(2,3)4;;;;;;/h;1H3;(H2,1,2,3,4);6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SNFYLZPJRFAAMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | Aluminum ammonium sulfate dodecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 298.6 Ų | RDKit |
| LogP | -5.819799999999995 | RDKit |
| Molar Refractivity | 46.63630000000002 | RDKit |
