Back to Search
Molecule
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
Identifiers
CAS Registry Number
506-87-6
SMILES
N.N.O=C(O)O
InChI Key
PRKQVKDSMLBJBJ-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.09 g/mol | CAS Common Chemistry |
| 96.08599999999998 g/mol | RDKit | |
| 96.086 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 |
| 0.5464 | RDKit | |
| Molar Refractivity | 20.6978 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 96.053492116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 96.09 g/mol. Edit any field — others recompute live.
