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Ethylene Glycol Dinitrate
CAS: 628-96-6 | C2H4N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
628-96-6
Molecular Formula:
C2H4N2O6
Molecular Weight:
152.062 g/mol
Names and Synonyms:
Ethylene Glycol Dinitrate
1,2-Ethanediol, 1,2-dinitrate
Ethylene nitrate
Ethylene glycol, dinitrate
1,2-Ethanediol, dinitrate
EGDN
Ethylene dinitrate
Glycol dinitrate
Nitroglycol
Ethylene glycol dinitrate ester
Ethylene glycol dinitrate
2-(Nitrooxy)ethyl nitrate
Identifiers:
SMILES:
O=[N+]([O-])OCCO[N+](=O)[O-]
InChI:
InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.06 g/mol | Legacy Database |
| density | 1.49 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethylene_glycol_dinitrate | Legacy Database | |
| cas-boiling-point | 197-200 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | O=N(=O)OCCON(=O)=O | Legacy Database | |
| cas-density | 1.4918 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2 | Legacy Database | |
| cas-inchi-key | InChIKey=UQXKXGWGFRWILX-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -22.3 °C | Legacy Database | |
| cas-name | Glycol dinitrate | Legacy Database | |
| wikipedia-name | Ethylene glycol dinitrate | Legacy Database | |
| LogP | -0.597 | RDKit | |
| Molecular | Molecular Weight | 152.062 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.006935848 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 5 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 104.74000000000001 Ų | RDKit |
| Molar | Molar Refractivity | 25.892799999999998 | RDKit |
