chempirical

Butyronitrile

C4H7NCAS 109-74-069.11 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C4H7N
Molar mass
69.11 g/mol
Exact mass
69.0578 Da
Density
0.8091 g/mL (at 0 °C)
Melting point
−112 °C
Boiling point
117.5 °C
logP
1.31Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
109-74-0
SMILES
CCCC#N
InChIKey
KVNRLNFWIYMESJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Butanenitrile
  • Propyl cyanide
  • n-Butyronitrile
  • 1-Cyanopropane
  • n-Butanenitrile
  • γ-Butyronitrile
  • NSC 8412

Work with Butyronitrile

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

Pentanenitrile110-59-867 % similar Hexanenitrile628-73-963 % similar Octanenitrile124-12-960 % similar Decanenitrile1975-78-660 % similar Nonanenitrile2243-27-860 % similar Undecanenitrile2244-07-760 % similar Dodecanenitrile2437-25-460 % similar Heptanenitrile629-08-360 % similar

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

Same formula

3-Pyrroline109-96-6 Isobutyronitrile78-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia