Back to Search
Molecule
Ammonium Bicarbonate
CAS: 1066-33-7 · CH5NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1066-33-7
- Molecular Formula
- CH5NO3
- Molecular Mass
- 79.06 g/mol
Identifiers
CAS Registry Number
1066-33-7
SMILES
N.O=C(O)O
InChI Key
ATRRKUHOCOJYRX-UHFFFAOYSA-N
InChI
InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
Names and Synonyms
- Ammonium Bicarbonate Synonym
- Carbonic acid, ammonium salt (1:1) Synonym
- Carbonic acid, monoammonium salt Synonym
- Ammonium bicarbonate Synonym
- Ammonium hydrogen carbonate Synonym
- Ammonium bicarbonate ((NH4)HCO3) Synonym
- Monoammonium carbonate Synonym
- Acid ammonium carbonate Synonym
- AmBic Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 79.06 g/mol | CAS Common Chemistry |
| 79.05499999999999 g/mol | RDKit | |
| 79.055 g/mol | RDKit | |
| Density | 1.59 g/cm³ | CAS Common Chemistry |
| 1.586 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_bicarbonate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)O.N | CAS Common Chemistry |
| InChI | InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ATRRKUHOCOJYRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107 °C (decomp) | CAS Common Chemistry |
| Name | Ammonium bicarbonate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 92.53 Ų | RDKit |
| LogP | 0.3844000000000001 | RDKit |
| 0.3844 | RDKit | |
| Molar Refractivity | 15.675699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 79.02694302 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 = 79.06 g/mol; density = 1.590 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH5NO3.
