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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 Mass:
64.04 g/mol
Names and Synonyms:
Ammonium Nitrite
Nitrous acid, ammonium salt (1:1)
Ammonium nitrite
Nitrous acid, ammonium salt
Ammonium nitrite (NH4NO2)
Ammonia compd. with nitrous acid (1:1)
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
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 | 64.04 g/mol | CAS Common Chemistry |
| 64.044 g/mol | RDKit | |
| 64.027277368 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_nitrite | CAS Common Chemistry |
| Canonical SMILES | O=NO.N | CAS Common Chemistry |
| InChI | InChI=1S/HNO2.H3N/c2-1-3;/h(H,2,3);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CAMXVZOXBADHNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ammonium nitrite | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 84.66000000000001 Ų | RDKit |
| LogP | 0.30399999999999994 | RDKit |
| Molar Refractivity | 12.603599999999998 | RDKit |
