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Fox-7
CAS: 145250-81-3 | C2H4N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
145250-81-3
Molecular Formula:
C2H4N4O4
Molecular Weight:
148.078 g/mol
Names and Synonyms:
Fox-7
1,1-Ethenediamine, 2,2-dinitro-
2,2-Dinitro-1,1-ethenediamine
1,1-Diamino-2,2-dinitroethylene
FOX 7
1,1-Diamino-2,2-dinitroethene
Identifiers:
SMILES:
NC(N)=C([N+](=O)[O-])[N+](=O)[O-]
InChI:
InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.078 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.023254608 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 138.32000000000002 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.4161999999999995 | RDKit |
| molecular_mass | 148.08 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/FOX-7 None | Legacy Database |
| cas-canonical-smile | O=N(=O)C(=C(N)N)N(=O)=O None | Legacy Database |
| cas-inchi | InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=FUHQFAMVYDIUKL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 238 °C (decomp) None | Legacy Database |
| cas-name | 1,1-Diamino-2,2-dinitroethylene None | Legacy Database |
| wikipedia-name | FOX-7 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.389600000000012 | RDKit |
