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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 Mass:
137.10 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)
Key Properties
Melting Point
141-144 °C @ Solvent: Ethanol
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.10 g/mol | CAS Common Chemistry |
| 137.09900000000002 g/mol | RDKit | |
| 137.054889084 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)O.N=C(N)NN | CAS Common Chemistry |
| InChI | InChI=1S/CH6N4.HNO3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=PMGFHEJUUBDCLU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 141-144 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Aminoguanidine nitrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 151.29 Ų | RDKit |
| LogP | -2.00453 | RDKit |
| Molar Refractivity | 28.01810000000001 | RDKit |
