chempirical

Propionitrile

C3H5NCAS 107-12-055.08 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C3H5N
Molar mass
55.08 g/mol
Exact mass
55.0422 Da
Density
0.7818 g/mL (at 20 °C)
Melting point
−91.8 °C
Boiling point
97.2 °C
logP
0.92Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
107-12-0
SMILES
CCC#N
InChIKey
FVSKHRXBFJPNKK-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Propanenitrile
  • Cyanoethane
  • Ether cyanatus
  • Ethyl cyanide
  • Hydrocyanic ether
  • Propionic nitrile
  • Propiononitrile
  • Propylnitrile
  • n-Propanenitrile
  • NSC 7966
  • 1-Methylacetonitrile

Work with Propionitrile

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

Butyronitrile109-74-044 % similar Malononitrile109-77-340 % similar Pentanenitrile110-59-840 % similar Succinonitrile110-61-240 % similar 3-Hexyne928-49-440 % similar Hexanenitrile628-73-938 % similar Octanenitrile124-12-936 % similar Decanenitrile1975-78-636 % similar

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

Same formula

Propargylamine2450-71-7 Isocyanoethane624-79-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia