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Ammonium Nitrate
CAS: 6484-52-2 | H4N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6484-52-2
Molecular Formula:
H4N2O3
Molecular Weight:
80.04299999999999 g/mol
Names and Synonyms:
Ammonium Nitrate
Nitric acid ammonium salt (1:1)
Nitric acid ammonium salt
Ammonium nitrate (1:1)
Ammonium nitrate
German saltpeter
Varioform I
Nitric acid, ammonium salt
Norwegian saltpeter
Norge saltpeter
Norway saltpeter
Plenco 12203
Emulite
Ammonium nitrate (NH4NO3)
EXP 200
ZhVK
phospho ammonium nitrate
Identifiers:
SMILES:
N.O=[N+]([O-])O
InChI:
InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 80.04299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 80.022191988 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 80.04 g/mol | Legacy Database |
| density | 1.73 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_nitrate None | Legacy Database |
| cas-boiling-point | 210 °C @ Press: 11 Torr None | Legacy Database |
| cas-canonical-smile | O=N(=O)O.N None | Legacy Database |
| cas-density | 1.725 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PRORZGWHZXZQMV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 169.6 °C None | Legacy Database |
| cas-name | Ammonium nitrate None | Legacy Database |
| wikipedia-name | Ammonium nitrate None | Legacy Database |
| LogP | -0.1857000000000001 | 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 | 98.37 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.802999999999999 | RDKit |
