chempirical

Octanenitrile

C8H15NCAS 124-12-9125.22 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C8H15N
Molar mass
125.22 g/mol
Exact mass
125.1204 Da
Density
0.8286 g/mL (at 0 °C)
Melting point
−45.6 °C
Boiling point
205.2 °C
logP
2.87Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 142 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
124-12-9
SMILES
CCCCCCCC#N
InChIKey
YSIMAPNUZAVQER-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Arneel 8
  • Caprylonitrile
  • Octanonitrile
  • n-Octanonitrile
  • 1-Cyanoheptane
  • n-Heptyl cyanide
  • Heptylcyanide
  • NSC 5513

Work with Octanenitrile

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

Decanenitrile1975-78-6100 % similar Nonanenitrile2243-27-8100 % similar Undecanenitrile2244-07-7100 % similar Dodecanenitrile2437-25-4100 % similar Heptanenitrile629-08-3100 % similar Tridecanenitrile629-60-7100 % similar Octadecanenitrile638-65-3100 % similar Hexanenitrile628-73-994 % similar

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

Same formula

Piperidine, 2-(2-propenyl)-, (S)- (9ci)133294-33-4 Rel-(3aR,7aS)-Octahydro-1H-isoindole1470-99-1 Octahydroisoindole21850-12-4 1-Cyclohexene-1-ethanamine3399-73-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook