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Molecule
Ammonium Nitrite
CAS: 13446-48-5 · H4N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13446-48-5
- Molecular Formula
- H4N2O2
- Molecular Mass
- 64.04 g/mol
Identifiers
CAS Registry Number
13446-48-5
SMILES
N.O=NO
InChI Key
CAMXVZOXBADHNJ-UHFFFAOYSA-N
InChI
InChI=1S/HNO2.H3N/c2-1-3;/h(H,2,3);1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 64.04 g/mol | CAS Common Chemistry |
| 64.044 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 |
| 84.66 Ų | RDKit | |
| LogP | 0.30399999999999994 | RDKit |
| 0.304 | RDKit | |
| Molar Refractivity | 12.603599999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 64.027277368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 64.04 g/mol. Edit any field — others recompute live.
