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Molecule
Methylnitronitrosoguanidine
CAS: 70-25-7 · C2H5N5O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70-25-7
- Molecular Formula
- C2H5N5O3
- Molecular Mass
- 147.09 g/mol
Identifiers
CAS Registry Number
70-25-7
SMILES
CN(N=O)C(=N)N[N+](=O)[O-]
InChI Key
VZUNGTLZRAYYDE-UHFFFAOYSA-N
InChI
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
Names and Synonyms
- Methylnitronitrosoguanidine Common Name
- Guanidine, N-methyl-N′-nitro-N-nitroso- Synonym
- Guanidine, 1-methyl-3-nitro-1-nitroso- Synonym
- N-Methyl-N′-nitro-N-nitrosoguanidine Synonym
- 1-Methyl-3-nitro-1-nitrosoguanidine Synonym
- N-Nitroso-N-methyl-N′-nitroguanidine Synonym
- 1-Nitroso-3-nitro-1-methylguanidine Synonym
- N-Methyl-N-nitroso-N′-nitroguanidine Synonym
- MNNG Synonym
- N-Nitroso-N-methylnitroguanidine Synonym
- N-Nitroso-N′-nitro-N-methylguanidine Synonym
- N-Methyl-N1-nitro-N-nitrosoguanidine Synonym
- Methylnitronitrosoguanidine Synonym
- NSC 9369 Synonym
- N-Methyl-N′-nitro-N-nitrosoguanadine Synonym
- 1-Methyl-1-nitroso-3-nitroguanidine Synonym
- Nitrosoguanidine Synonym
- 1-Methyl-1-nitroso-2-nitroguanidine Synonym
- NTG Synonym
- N-Methyl-nitroso-N′-nitroguanidine Synonym
- N-Nitrosoguanidine Synonym
- 1-Methyl-2-nitro-1-nitrosoguanidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.09 g/mol | CAS Common Chemistry |
| 147.094 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylnitronitrosoguanidine | CAS Common Chemistry |
| Canonical SMILES | O=NN(C(=N)NN(=O)=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=VZUNGTLZRAYYDE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-123.5 °C (decomp) | CAS Common Chemistry |
| Name | N-Methyl-N′-nitro-N-nitrosoguanidine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 111.69 Ų | RDKit |
| LogP | -0.6843299999999999 | RDKit |
| -0.6843 | RDKit | |
| Molar Refractivity | 31.4148 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 147.03923902 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 147.09 g/mol. Edit any field — others recompute live.
