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Molecule
Ethylene Glycol Dinitrate
CAS: 628-96-6 · C2H4N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 628-96-6
- Molecular Formula
- C2H4N2O6
- Molecular Mass
- 152.06 g/mol
Identifiers
CAS Registry Number
628-96-6
SMILES
O=[N+]([O-])OCCO[N+](=O)[O-]
InChI Key
UQXKXGWGFRWILX-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2
Names and Synonyms
- Ethylene Glycol Dinitrate Synonym
- 1,2-Ethanediol, 1,2-dinitrate Synonym
- Ethylene nitrate Synonym
- Ethylene glycol, dinitrate Synonym
- 1,2-Ethanediol, dinitrate Synonym
- EGDN Synonym
- Ethylene dinitrate Synonym
- Glycol dinitrate Synonym
- Nitroglycol Synonym
- Ethylene glycol dinitrate ester Synonym
- Ethylene glycol dinitrate Synonym
- 2-(Nitrooxy)ethyl nitrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.06 g/mol | CAS Common Chemistry |
| 152.062 g/mol | RDKit | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.4918 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylene_glycol_dinitrate | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)OCCON(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UQXKXGWGFRWILX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -22.3 °C | CAS Common Chemistry |
| Name | Glycol dinitrate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 104.74000000000001 Ų | RDKit |
| 104.74 Ų | RDKit | |
| 95.06 Ų | chempirical lib | |
| LogP | -0.597 | RDKit |
| Molar Refractivity | 25.892799999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 152.006935848 g/mol | RDKit |
| Boiling Point | 197-200 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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
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MW = 152.06 g/mol; density = 1.490 g/mL. Edit any field — others recompute live.
