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Molecule
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
Identifiers
CAS Registry Number
17496-08-1
SMILES
CCC(=O)O.N
InChI Key
XJMWHXZUIGHOBA-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2.H3N/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H3
Names and Synonyms
- Ammonium Propionate Synonym
- Propanoic acid, ammonium salt (1:1) Synonym
- Propionic acid, ammonium salt Synonym
- Propanoic acid, ammonium salt Synonym
- Ammonium propionate Synonym
- Luprosil NC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 91.11 g/mol | CAS Common Chemistry |
| 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 |
| 0.643 | RDKit | |
| Molar Refractivity | 22.948900000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 91.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 91.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9NO2.
