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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 Weight:
142.09199999999998 g/mol
Names and Synonyms:
Ammonium Alum
Aluminum ammonium sulfate
Ammonium aluminum sulfate
Aluminum ammonium bis(sulfate)
Ammonium aluminum sulfate (NH4Al(SO4)2)
Aluminum sulfate compd. with ammonium sulfate (1:1)
Curb
Aluminum ammonium disulfate (Al(NH4)(SO4)2)
Aluminum ammonium alum
Monoammonium monoaluminum sulfate
Ammonium alum
Ammonium aluminum alum
Exsiccated ammonium alum
Burnt ammonium alum
Alum ammonium
Aluminum ammonium sulfate (Al(NH4)(SO4)2)
Sulfuric acid, aluminum ammonium salt (2:1:1)
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)
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 |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 142.09199999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 141.97546727 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 3 count | RDKit |
Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 109.60000000000001 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -0.8715999999999999 | RDKit |
molecular_mass | 142.09 g/mol | Legacy Database |
density | 2.45 g/cm³ | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_alum None | Legacy Database |
cas-canonical-smile | [Al].O=S(=O)(O)O.N None | Legacy Database |
cas-density | 2.45 g/cm3 @ Temp: 20 °C None | Legacy Database |
cas-inchi | InChI=1S/Al.H3N.H2O4S/c;;1-5(2,3)4/h;1H3;(H2,1,2,3,4) None | Legacy Database |
cas-inchi-key | InChIKey=JBDDAQMOLJDTEO-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 94.5 °C None | Legacy Database |
cas-name | Ammonium aluminum sulfate None | Legacy Database |
wikipedia-name | Ammonium alum None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 24.953500000000005 | RDKit |