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Ammonium Nitrite
CAS: 13446-48-5 | H4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13446-48-5
Molecular Formula:
H4N2O2
Molecular Weight:
64.044 g/mol
Names and Synonyms:
Ammonium Nitrite
Synonym
Nitrous acid, ammonium salt (1:1)
Synonym
Ammonium nitrite
Synonym
Nitrous acid, ammonium salt
Synonym
Ammonium nitrite (NH4NO2)
Synonym
Ammonia compd. with nitrous acid (1:1)
Synonym
Identifiers:
SMILES:
N.O=NO
InChI:
InChI=1S/HNO2.H3N/c2-1-3;/h(H,2,3);1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 64.044 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 64.027277368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 | 84.66000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.30399999999999994 | RDKit |
| molecular_mass | 64.04 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_nitrite None | Legacy Database |
| cas-canonical-smile | O=NO.N None | Legacy Database |
| cas-inchi | InChI=1S/HNO2.H3N/c2-1-3;/h(H,2,3);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CAMXVZOXBADHNJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ammonium nitrite None | Legacy Database |
| wikipedia-name | Ammonium nitrite None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.603599999999998 | RDKit |