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Ammonium Propionate
CAS: 17496-08-1 | C3H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17496-08-1
Molecular Formula:
C3H9NO2
Molecular Mass:
91.11 g/mol
Names and Synonyms:
Ammonium Propionate
Propanoic acid, ammonium salt (1:1)
Propionic acid, ammonium salt
Propanoic acid, ammonium salt
Ammonium propionate
Luprosil NC
Identifiers:
SMILES:
CCC(=O)O.N
InChI:
InChI=1S/C3H6O2.H3N/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H3
Key Properties
Melting Point
73 °C
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 | 91.11 g/mol | CAS Common Chemistry |
| 91.063328528 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_propionate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CC.N | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2.H3N/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XJMWHXZUIGHOBA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73 °C | CAS Common Chemistry |
| Name | Ammonium propionate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | 0.6429999999999999 | RDKit |
| Molar Refractivity | 22.948900000000002 | RDKit |
