Pentanenitrile

C5H9NCAS 110-59-883.13 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C5H9N
Molar mass
83.13 g/mol
Exact mass
83.0735 Da
Density
0.8036 g/mL (at 15 °C)
Melting point
−96.2 °C
Boiling point
141.3 °C
Flash point
40.6 °C
Water solubility
1–5 g/L (22.5 °C)
logP
1.70Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 64 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P301+P317, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
110-59-8
SMILES
CCCCC#N
InChIKey
RFFFKMOABOFIDF-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Valeronitrile
  • Butane, 1-cyano-
  • Butyl cyanide
  • 1-Cyanobutane
  • 1-Butyl cyanide
  • n-Valeronitrile
  • n-Pentanenitrile
  • n-Butyl cyanide

Work with Pentanenitrile

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

Hexanenitrile628-73-983 % similar Octanenitrile124-12-979 % similar Decanenitrile1975-78-679 % similar Nonanenitrile2243-27-879 % similar Undecanenitrile2244-07-779 % similar Dodecanenitrile2437-25-479 % similar Heptanenitrile629-08-379 % similar Tridecanenitrile629-60-779 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bicyclo(1.1.1)pentan-1-amine177287-49-9 Butyl isocyanide2769-64-4 1,1-Dimethylpropargylamine2978-58-7 Isovaleronitrile625-28-5 Pivalonitrile630-18-2 1,2,3,6-Tetrahydropyridine694-05-3 tert-Butyl isocyanide7188-38-7 N,N-Dimethylpropargylamine7223-38-3

Elsewhere

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