Back to Search
Molecule
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 Mass
- 148.08 g/mol
Identifiers
CAS Registry Number
145250-81-3
SMILES
NC(N)=C([N+](=O)[O-])[N+](=O)[O-]
InChI Key
FUHQFAMVYDIUKL-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2
Names and Synonyms
- Fox-7 Synonym
- 1,1-Ethenediamine, 2,2-dinitro- Synonym
- 2,2-Dinitro-1,1-ethenediamine Synonym
- 1,1-Diamino-2,2-dinitroethylene Synonym
- FOX 7 Synonym
- 1,1-Diamino-2,2-dinitroethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.08 g/mol | CAS Common Chemistry |
| 148.078 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/FOX-7 | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C(=C(N)N)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4N4O4/c3-1(4)2(5(7)8)6(9)10/h3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FUHQFAMVYDIUKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 238 °C (decomp) | CAS Common Chemistry |
| Name | 1,1-Diamino-2,2-dinitroethylene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 138.32000000000002 Ų | RDKit |
| 138.32 Ų | RDKit | |
| 128.64 Ų | chempirical lib | |
| LogP | -1.4161999999999995 | RDKit |
| -1.4162 | RDKit | |
| Molar Refractivity | 29.389600000000012 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 148.023254608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 148.08 g/mol. Edit any field — others recompute live.
