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Molecule
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 Mass
- 122.08 g/mol
Identifiers
CAS Registry Number
506-93-4
SMILES
N=C(N)N.O=[N+]([O-])O
InChI Key
CNUNWZZSUJPAHX-UHFFFAOYSA-N
InChI
InChI=1S/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(H,2,3,4)
Names and Synonyms
- Guanidine Nitrate Synonym
- Guanidine, nitrate (1:1) Synonym
- Guanidine, mononitrate Synonym
- Guanidine nitrate Synonym
- Guanidinium nitrate Synonym
- NSC 7295 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.08 g/mol | CAS Common Chemistry |
| 122.08399999999999 g/mol | RDKit | |
| 122.084 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Guanidine_nitrate | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)O.N=C(N)N | CAS Common Chemistry |
| InChI | InChI=1S/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(H,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=CNUNWZZSUJPAHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 214 °C | CAS Common Chemistry |
| Name | Guanidine 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 | 139.26000000000002 Ų | RDKit |
| 139.26 Ų | RDKit | |
| LogP | -1.5091299999999999 | RDKit |
| -1.5091 | RDKit | |
| Molar Refractivity | 24.88240000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 122.043990052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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
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MW = 122.08 g/mol. Edit any field — others recompute live.
