ALUMINUM AMMONIUM SULFATE
General Information
| Mainterm | ALUMINUM AMMONIUM SULFATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 7784-26-1 |
| Regnum |
182.90 182.1127 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 62668 |
| IUPAC Name | aluminum;azanium;disulfate;dodecahydrate |
| InChI | InChI=1S/Al.H3N.2H2O4S.12H2O/c;;2*1-5(2,3)4;;;;;;;;;;;;/h;1H3;2*(H2,1,2,3,4);12*1H2/q+3;;;;;;;;;;;;;;;/p-3 |
| InChI Key | WZUKKIPWIPZMAS-UHFFFAOYSA-K |
| Canonical SMILES | [NH4+].O.O.O.O.O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3] |
| Molecular Formula | AlH28NO20S2 |
| Wikipedia | ammonium alum |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 453.313 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 0 |
| Complexity | 62.2 |
| CACTVS Substructure Key Fingerprint | A A A D c e A C P g B g A B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A Q C A A A A A A A A A A A A A A A A A A A A A A A A D A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 190.0 |
| Monoisotopic Mass | 453.046 |
| Exact Mass | 453.046 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 16 |
From Pubchem
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Post-transition metal oxoanionic compounds |
| Subclass | Post-transition metal sulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Post-transition metal sulfates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Post-transition metal sulfate - Inorganic post-transition metal salt - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as post-transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a post-transition metal. |
From ClassyFire