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Ammonium Formate
CAS: 540-69-2 | CH5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
540-69-2
Molecular Formula:
CH5NO2
Molecular Mass:
63.06 g/mol
Names and Synonyms:
Ammonium Formate
Formic acid, ammonium salt (1:1)
Formic acid, ammonium salt
Ammonium formate
Identifiers:
SMILES:
N.O=CO
InChI:
InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
Key Properties
Melting Point
116 °C
CAS Common Chemistry
Density
1.28 g/cm³
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 | 63.06 g/mol | CAS Common Chemistry |
| 63.056000000000004 g/mol | RDKit | |
| 63.0320284 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.280 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_formate | CAS Common Chemistry |
| Canonical SMILES | O=CO.N | CAS Common Chemistry |
| InChI | InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VZTDIZULWFCMLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | Ammonium formate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 72.3 Ų | RDKit |
| LogP | -0.13720000000000027 | RDKit |
| Molar Refractivity | 13.7149 | RDKit |
