chempirical

Diethylene glycol dinitrate

C4H8N2O7CAS 693-21-0196.11 g/mol

Open in Covalent MOL file
ON+O−OOON+OO−
EtherNitro

Properties

Molecular formula
C4H8N2O7
Molar mass
196.11 g/mol
Exact mass
196.0332 Da
Density
1.389 g/mL (at 16 °C)
Melting point
2 °C
Boiling point
139 °C (at 7 Torr)
logP
-0.58Crippen estimate
Polar surface area
114.0 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
8

Identifiers

CAS number
693-21-0
SMILES
O=[N+]([O-])OCCOCCO[N+](=O)[O-]
InChIKey
LYAGTVMJGHTIDH-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2

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Names and synonyms

10 names
  • Ethanol, 2,2′-oxybis-, 1,1′-dinitrate
  • Diethylene glycol, dinitrate
  • Ethanol, 2,2′-oxybis-, dinitrate
  • Diglycol dinitrate
  • Dinitrodiglycol
  • Oxydiethylene nitrate
  • 2,2′-Oxydiethanol dinitrate
  • DEGDN
  • DEGN
  • 2-(2-Nitrooxyethoxy)ethyl Nitrate

Work with Diethylene glycol dinitrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethylene glycol dinitrate628-96-683 % similar Propyl nitrate627-13-458 % similar Butyl nitrate928-45-054 % similar Isoamyl nitrate543-87-352 % similar Ethyl nitrate625-58-150 % similar Pentaerythritol tetranitrate78-11-550 % similar Nitroglycerin55-63-044 % similar 2-Ethylhexyl nitrate27247-96-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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