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Aminoguanidine Nitrate
CAS: 10308-82-4 | CH7N5O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10308-82-4
Molecular Formula:
CH7N5O3
Molecular Weight:
137.09900000000002 g/mol
Names and Synonyms:
Aminoguanidine Nitrate
Hydrazinecarboximidamide, nitrate (1:1)
Guanidine, amino-, mononitrate
Hydrazinecarboximidamide, mononitrate
Aminoguanidine nitrate
Aminoguanidine mononitrate
Aminoguanidinium nitrate
NSC 206198
N-Aminoguanidine nitrate
Identifiers:
SMILES:
N=C(N)NN.O=[N+]([O-])O
InChI:
InChI=1S/CH6N4.HNO3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(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 |
|---|---|---|
| cas-name | Aminoguanidine nitrate None | Legacy Database |
| LogP | -2.00453 | RDKit |
| molecular_mass | 137.10 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)O.N=C(N)NN None | Legacy Database |
| cas-inchi | InChI=1S/CH6N4.HNO3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H,2,3,4) None | Legacy Database |
| cas-inchi-key | InChIKey=PMGFHEJUUBDCLU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 141-144 °C @ Solvent: Ethanol None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.09900000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.054889084 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 5 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 | 151.29 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.01810000000001 | RDKit |
