chempirical

Ethyl nitrate

C2H5NO3CAS 625-58-191.07 g/mol

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ON+OO−
Nitro

Properties

Molecular formula
C2H5NO3
Molar mass
91.07 g/mol
Exact mass
91.0269 Da
Density
1.1084 g/mL (at 20 °C)
Melting point
−94.6 °C
Boiling point
87.2 °C (at 762 Torr)
logP
0.21Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
625-58-1
SMILES
CCO[N+](=O)[O-]
InChIKey
IDNUEBSJWINEMI-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3

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Names and synonyms

2 names
  • Nitric acid, ethyl ester
  • NSC 8826

Work with Ethyl nitrate

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

Propyl nitrate627-13-458 % similar Ethylene glycol dinitrate628-96-657 % similar Butyl nitrate928-45-054 % similar Diethylene glycol dinitrate693-21-050 % similar Pentaerythritol tetranitrate78-11-550 % similar Isoamyl nitrate543-87-346 % similar Nitroglycerin55-63-044 % similar Isopropyl nitrate1712-64-744 % similar

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

Same formula

2-Nitroethanol625-48-9

Elsewhere

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