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Molecule
Aminoguanidine Nitrate
CAS: 10308-82-4 · CH7N5O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10308-82-4
- Molecular Formula
- CH7N5O3
- Molecular Mass
- 137.10 g/mol
Identifiers
CAS Registry Number
10308-82-4
SMILES
N=C(N)NN.O=[N+]([O-])O
InChI Key
PMGFHEJUUBDCLU-UHFFFAOYSA-N
InChI
InChI=1S/CH6N4.HNO3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H,2,3,4)
Names and Synonyms
- Aminoguanidine Nitrate Synonym
- Hydrazinecarboximidamide, nitrate (1:1) Synonym
- Guanidine, amino-, mononitrate Synonym
- Hydrazinecarboximidamide, mononitrate Synonym
- Aminoguanidine nitrate Synonym
- Aminoguanidine mononitrate Synonym
- Aminoguanidinium nitrate Synonym
- NSC 206198 Synonym
- N-Aminoguanidine nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.10 g/mol | CAS Common Chemistry |
| 137.09900000000002 g/mol | RDKit | |
| 137.099 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 |
| -2.0045 | RDKit | |
| Molar Refractivity | 28.01810000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.054889084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 137.10 g/mol. Edit any field — others recompute live.
