Back to Search
Molecule
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 Mass
- 123.07 g/mol
Identifiers
CAS Registry Number
124-47-0
SMILES
N=C(N)O.O=[N+]([O-])O
InChI Key
AYTGUZPQPXGYFS-UHFFFAOYSA-N
InChI
InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4)
Names and Synonyms
- Urea Nitrate Common Name
- Urea, nitrate (1:1) Synonym
- Urea, mononitrate Synonym
- Acidogen nitrate Synonym
- Urea nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.07 g/mol | CAS Common Chemistry |
| 123.068 g/mol | RDKit | |
| Density | 1.69 g/cm³ | CAS Common Chemistry |
| 1.690 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Urea_nitrate | CAS Common Chemistry |
| Canonical SMILES | O=C(N)N.O=N(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/CH4N2O.HNO3/c2*2-1(3)4/h(H4,2,3,4);(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=AYTGUZPQPXGYFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C (decomp) | CAS Common Chemistry |
| Name | Urea nitrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 133.47000000000003 Ų | RDKit |
| 133.47 Ų | RDKit | |
| LogP | -0.9098299999999995 | RDKit |
| -0.9098 | RDKit | |
| Molar Refractivity | 23.323800000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 123.02800564 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 123.07 g/mol; density = 1.690 g/mL. Edit any field — others recompute live.
