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Urea Nitrate
CAS: 124-47-0 | CH5N3O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-47-0
Molecular Formula:
CH5N3O4
Molecular Weight:
123.068 g/mol
Names and Synonyms:
Urea Nitrate
Urea nitrate
Acidogen nitrate
Urea, mononitrate
Urea, nitrate (1:1)
Identifiers:
SMILES:
N=C(N)O.O=[N+]([O-])O
InChI:
InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 123.07 g/mol | Legacy Database |
| density | 1.69 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Urea_nitrate None | Legacy Database |
| cas-canonical-smile | O=C(N)N.O=N(=O)O None | Legacy Database |
| cas-density | 1.690 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=AYTGUZPQPXGYFS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 152 °C (decomp) None | Legacy Database |
| wikipedia-name | Urea nitrate None | Legacy Database |
| LogP | -0.9098299999999995 | RDKit |
| cas-name | Urea nitrate None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 123.068 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 123.02800564 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 4 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 | 133.47000000000003 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.323800000000006 | RDKit |
