chempirical

Isopropyl nitrate

C3H7NO3CAS 1712-64-7105.09 g/mol

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ON+OO−
Nitro

Properties

Molecular formula
C3H7NO3
Molar mass
105.09 g/mol
Exact mass
105.0426 Da
Melting point
below 0 °C
Boiling point
100 °C
logP
0.60Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1712-64-7
SMILES
CC(C)O[N+](=O)[O-]
InChIKey
GAPFWGOSHOCNBM-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3

Weigh it out

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Names and synonyms

5 names
  • Nitric acid, 1-methylethyl ester
  • Nitric acid, isopropyl ester
  • 2-Propyl nitrate
  • NSC 88934
  • Propan-2-yl nitrate

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

Similar compounds

Nitroglycerin55-63-044 % similar Ethyl nitrate625-58-144 % similar Isosorbide dinitrate87-33-243 % similar Isoamyl nitrate543-87-341 % similar Ethylene glycol dinitrate628-96-638 % similar Isosorbide mononitrate16051-77-734 % similar Diethylene glycol dinitrate693-21-033 % similar Pentaerythritol tetranitrate78-11-533 % similar

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

Same formula

Dl-serine302-84-1 D-Serine312-84-5 Serine56-45-1 Isoserine565-71-9 Hydroxyurethane589-41-3 Propyl nitrate627-13-4 L-Isoserine632-13-3

Elsewhere

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