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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
Names and Synonyms:
Methylnitronitrosoguanidine
Guanidine, N-methyl-N′-nitro-N-nitroso-
Guanidine, 1-methyl-3-nitro-1-nitroso-
N-Methyl-N′-nitro-N-nitrosoguanidine
1-Methyl-3-nitro-1-nitrosoguanidine
N-Nitroso-N-methyl-N′-nitroguanidine
1-Nitroso-3-nitro-1-methylguanidine
N-Methyl-N-nitroso-N′-nitroguanidine
MNNG
N-Nitroso-N-methylnitroguanidine
N-Nitroso-N′-nitro-N-methylguanidine
N-Methyl-N1-nitro-N-nitrosoguanidine
Methylnitronitrosoguanidine
NSC 9369
N-Methyl-N′-nitro-N-nitrosoguanadine
1-Methyl-1-nitroso-3-nitroguanidine
Nitrosoguanidine
1-Methyl-1-nitroso-2-nitroguanidine
NTG
N-Methyl-nitroso-N′-nitroguanidine
N-Nitrosoguanidine
1-Methyl-2-nitro-1-nitrosoguanidine
Identifiers:
SMILES:
CN(N=O)C(=N)N[N+](=O)[O-]
InChI:
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
Key Properties
Melting Point
118-123.5 °C (decomp)
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 | 147.09 g/mol | CAS Common Chemistry |
| 147.094 g/mol | RDKit | |
| 147.03923902 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 |
| Methylnitronitrosoguanidine | 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 |
| Molar Refractivity | 31.4148 | RDKit |
