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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 Weight:
63.056000000000004 g/mol
Names and Synonyms:
Ammonium Formate
Common Name
Ammonium formate
Synonym
Formic acid, ammonium salt
Synonym
Formic acid, ammonium salt (1:1)
Synonym
Identifiers:
SMILES:
N.O=CO
InChI:
InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
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 |
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200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 63.056000000000004 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 63.0320284 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 4 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 72.3 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -0.13720000000000027 | RDKit |
molecular_mass | 63.06 g/mol | Legacy Database |
density | 1.28 g/cm³ | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_formate None | Legacy Database |
cas-canonical-smile | O=CO.N None | Legacy Database |
cas-density | 1.280 g/cm3 None | Legacy Database |
cas-inchi | InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3 None | Legacy Database |
cas-inchi-key | InChIKey=VZTDIZULWFCMLS-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 116 °C None | Legacy Database |
cas-name | Ammonium formate None | Legacy Database |
wikipedia-name | Ammonium formate None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 13.7149 | RDKit |