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Guanidine Nitrate
CAS: 506-93-4 | CH6N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
506-93-4
Molecular Formula:
CH6N4O3
Molecular Weight:
122.08399999999999 g/mol
Names and Synonyms:
Guanidine Nitrate
Guanidine, nitrate (1:1)
Guanidine, mononitrate
Guanidine nitrate
Guanidinium nitrate
NSC 7295
Identifiers:
SMILES:
N=C(N)N.O=[N+]([O-])O
InChI:
InChI=1S/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(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 | 122.08 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Guanidine_nitrate None | Legacy Database |
| cas-canonical-smile | O=N(=O)O.N=C(N)N None | Legacy Database |
| cas-inchi | InChI=1S/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(H,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=CNUNWZZSUJPAHX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 214 °C None | Legacy Database |
| cas-name | Guanidine nitrate None | Legacy Database |
| wikipedia-name | Guanidine nitrate None | Legacy Database |
| LogP | -1.5091299999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.08399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.043990052 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 | 139.26000000000002 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.88240000000001 | RDKit |
