chempirical

Ethylene glycol dinitrate

C2H4N2O6CAS 628-96-6152.06 g/mol

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ON+O−OON+OO−
Nitro

Properties

Molecular formula
C2H4N2O6
Molar mass
152.06 g/mol
Exact mass
152.0069 Da
Density
1.4918 g/mL (at 20 °C)
Melting point
−22.3 °C
Boiling point
197–200 °C
logP
-0.60Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Identifiers

CAS number
628-96-6
SMILES
O=[N+]([O-])OCCO[N+](=O)[O-]
InChIKey
UQXKXGWGFRWILX-UHFFFAOYSA-N
InChI
InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2

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Names and synonyms

10 names
  • 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
  • 2-(Nitrooxy)ethyl nitrate

Work with Ethylene 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethylene glycol dinitrate693-21-083 % similar Propyl nitrate627-13-467 % similar Butyl nitrate928-45-061 % similar Amyl nitrate1002-16-058 % similar Isoamyl nitrate543-87-358 % similar Ethyl nitrate625-58-157 % similar Pentaerythritol tetranitrate78-11-557 % similar Nitroglycerin55-63-050 % similar

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

Elsewhere

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