chempirical

Undecanenitrile

C11H21NCAS 2244-07-7167.30 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C11H21N
Molar mass
167.30 g/mol
Exact mass
167.1674 Da
Boiling point
253 °C
logP
4.04Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
2244-07-7
SMILES
CCCCCCCCCCC#N
InChIKey
SZKKNEOUHLFYNA-UHFFFAOYSA-N
InChI
InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Hendecanenitrile
  • Undecanonitrile
  • 1-Decyl cyanide
  • n-Undecanonitrile
  • 1-Cyanodecane
  • NSC 4026
  • Decyl cyanide

Work with Undecanenitrile

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

Octanenitrile124-12-9100 % similar Decanenitrile1975-78-6100 % similar Nonanenitrile2243-27-8100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook