chempirical

Hexanenitrile

C6H11NCAS 628-73-997.16 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C6H11N
Molar mass
97.16 g/mol
Exact mass
97.0891 Da
Density
0.8216 g/mL (at 0 °C)
Melting point
−80.3 °C
Boiling point
163.6 °C
logP
2.09Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
628-73-9
SMILES
CCCCCC#N
InChIKey
AILKHAQXUAOOFU-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • NSC 1076
  • Capronitrile
  • Pentyl cyanide
  • Hexanonitrile
  • Tricapronile
  • 1-Cyanopentane
  • n-Hexanenitrile
  • n-Capronitrile
  • n-Pentyl cyanide
  • n-Amyl cyanide

Work with Hexanenitrile

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

Octanenitrile124-12-994 % similar Decanenitrile1975-78-694 % similar Nonanenitrile2243-27-894 % similar Undecanenitrile2244-07-794 % similar Dodecanenitrile2437-25-494 % similar Heptanenitrile629-08-394 % similar Tridecanenitrile629-60-794 % similar Octadecanenitrile638-65-394 % similar

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

Same formula

Diallylamine124-02-7 4-Methylpentanenitrile542-54-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook