chempirical

Propyl nitrate

C3H7NO3CAS 627-13-4105.09 g/mol

Open in Covalent MOL file
ON+OO−
Nitro

Properties

Molecular formula
C3H7NO3
Molar mass
105.09 g/mol
Exact mass
105.0426 Da
Density
1.0538 g/mL (at 20 °C)
Melting point
−100 °C
Boiling point
110 °C
logP
0.60Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
627-13-4
SMILES
CCCO[N+](=O)[O-]
InChIKey
JNTOKFNBDFMTIV-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

2 names
  • Nitric acid, propyl ester
  • n-Propyl nitrate

Work with Propyl 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

Butyl nitrate928-45-075 % similar Ethylene glycol dinitrate628-96-667 % similar Ethyl nitrate625-58-158 % similar Diethylene glycol dinitrate693-21-058 % similar Isoamyl nitrate543-87-354 % similar 2-Ethylhexyl nitrate27247-96-748 % similar Nitroglycerin55-63-046 % similar Pentaerythritol tetranitrate78-11-546 % similar

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

Same formula

Isopropyl nitrate1712-64-7 Dl-serine302-84-1 D-Serine312-84-5 Serine56-45-1 Isoserine565-71-9 Hydroxyurethane589-41-3 L-Isoserine632-13-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook