chempirical

6Cb

C19H21NCAS 41122-70-7263.38 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C19H21N
Molar mass
263.38 g/mol
Exact mass
263.1674 Da
Melting point
13.5 °C
Boiling point
183–185 °C (at 2 Torr)
logP
5.35Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
41122-70-7
SMILES
CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
VADSDVGLFDVIMG-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-hexyl-
  • 4′-Hexyl[1,1′-biphenyl]-4-carbonitrile
  • 4′-Hexyl-4-biphenylcarbonitrile
  • 4-Cyano-4′-hexylbiphenyl
  • 4-Hexyl-4′-cyanobiphenyl
  • 4-Cyano-4′-n-hexylbiphenyl
  • 4′-Hexyl-4-cyanobiphenyl
  • p-Hexyl-p′-cyanobiphenyl
  • 4-Hexyl-4′-cyanodiphenyl
  • CB 6 (liquid crystal)
  • CB 6
  • K 18 (Liquid crystal)
  • K 18
  • 4′-n-Hexyl-4-cyanobiphenyl
  • 4-n-Hexyl-4′-cyanobiphenyl
  • 4-Cyano-4′-hexyl-1,1′-biphenyl

Work with 6Cb

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Heptyl-4-cyanobiphenyl41122-71-8100 % similar 8Cb52709-84-9100 % similar 4-Cyano-4'-pentylbiphenyl40817-08-196 % similar 4′′-Pentyl-4-cyano-P-terphenyl54211-46-096 % similar 4′-Butyl-4-cyanobiphenyl52709-83-886 % similar 3Cb58743-76-377 % similar 4-Butylbenzonitrile20651-73-476 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-765 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook