chempirical

Cyclohexanecarbonitrile

C7H11NCAS 766-05-2109.17 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C7H11N
Molar mass
109.17 g/mol
Exact mass
109.0891 Da
Density
0.919 g/mL (at 19 °C)
Melting point
11 °C
Boiling point
75–77 °C (at 16 Torr)
logP
2.09Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
766-05-2
SMILES
N#CC1CCCCC1
InChIKey
VBWIZSYFQSOUFQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2

Weigh it out

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

Names and synonyms

6 names
  • Hexahydrobenzonitrile
  • Cyanocyclohexane
  • Cyclohexyl cyanide
  • Cyclohexanecarboxylic acid nitrile
  • Cyclohexanenitrile
  • NSC 17557

Work with Cyclohexanecarbonitrile

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

Cyclopentanecarbonitrile4254-02-893 % similar Cyclobutanecarbonitrile4426-11-381 % similar Cyclopropyl cyanide5500-21-069 % similar 1,3,6-Hexanetricarbonitrile1772-25-457 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-252 % similar 3-Cyclohexene-1-carbonitrile100-45-840 % similar 3-Methylenecyclobutanecarbonitrile15760-35-738 % similar 3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-433 % similar

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

Same formula

1,2,5-Trimethyl-1H-pyrrole930-87-0 Cyclohexyl isocyanide931-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook