Back to Search
Ammonium Carbonate
CAS: 506-87-6 | CH8N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
506-87-6
Molecular Formula:
CH8N2O3
Molecular Weight:
96.08599999999998 g/mol
Names and Synonyms:
Ammonium Carbonate
Synonym
Hartshorn
Synonym
Carbonic acid, ammonium salt (1:2)
Synonym
Carbonic acid, diammonium salt
Synonym
Diammonium carbonate
Synonym
Ammonium carbonate ((NH4)2CO3)
Synonym
Ammonium carbonate
Synonym
Bis(ammonium) carbonate
Synonym
Baker's ammonia
Synonym
Salt of hartshorn
Synonym
Identifiers:
SMILES:
N.N.O=C(O)O
InChI:
InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
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 | 96.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_carbonate None | Legacy Database |
| cas-canonical-smile | O=C(O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PRKQVKDSMLBJBJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 58 °C (decomp) None | Legacy Database |
| cas-name | Ammonium carbonate None | Legacy Database |
| wikipedia-name | Ammonium carbonate None | Legacy Database |
| LogP | 0.5463999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 96.08599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 96.053492116 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 | 4 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 | 127.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.6978 | RDKit |