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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 Mass:
96.09 g/mol
Names and Synonyms:
Ammonium Carbonate
Hartshorn
Carbonic acid, ammonium salt (1:2)
Carbonic acid, diammonium salt
Diammonium carbonate
Ammonium carbonate ((NH4)2CO3)
Ammonium carbonate
Bis(ammonium) carbonate
Baker's ammonia
Salt of hartshorn
Identifiers:
SMILES:
N.N.O=C(O)O
InChI:
InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
Key Properties
Melting Point
58 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.09 g/mol | CAS Common Chemistry |
| 96.08599999999998 g/mol | RDKit | |
| 96.053492116 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_carbonate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PRKQVKDSMLBJBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58 °C (decomp) | CAS Common Chemistry |
| Name | Ammonium carbonate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.53 Ų | RDKit |
| LogP | 0.5463999999999998 | RDKit |
| Molar Refractivity | 20.6978 | RDKit |
