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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
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.

External Resources

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

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