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Ammonium Bisulfate
CAS: 7803-63-6 | H5NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7803-63-6
Molecular Formula:
H5NO4S
Molecular Weight:
115.10999999999999 g/mol
Names and Synonyms:
Ammonium Bisulfate
Ammonium monohydrogen sulfate
Ammonium hydrogen sulfate (NH4HSO4)
Monoammonium hydrogen sulfate
Monoammonium sulfate
Ammonium hydrogen sulfate
Ammonium bisulfate
Ammonium acid sulfate
Acid ammonium sulfate
Ammonium sulfate ((NH4)HSO4)
Sulfuric acid, monoammonium salt
Sulfuric acid, ammonium salt (1:1)
Identifiers:
SMILES:
N.O=S(=O)(O)O
InChI:
InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 115.11 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_bisulfate None | Legacy Database |
| cas-boiling-point | 358.8 °C None | Legacy Database |
| cas-canonical-smile | O=S(=O)(O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=BIGPRXCJEDHCLP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 211 °C (decomp) @ Solvent: Water None | Legacy Database |
| cas-name | Ammonium bisulfate None | Legacy Database |
| wikipedia-name | Ammonium bisulfate None | Legacy Database |
| LogP | -0.49079999999999974 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.10999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.99392864000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.1995 | RDKit |
