chempirical

Dodecanenitrile

C12H23NCAS 2437-25-4181.32 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C12H23N
Molar mass
181.32 g/mol
Exact mass
181.1830 Da
Melting point
4 °C
Boiling point
277 °C
logP
4.43Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
9

Identifiers

CAS number
2437-25-4
SMILES
CCCCCCCCCCCC#N
InChIKey
VXCUURYYWGCLIH-UHFFFAOYSA-N
InChI
InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Lauronitrile
  • Dodecanonitrile
  • Decylacetonitrile
  • Lauric nitrile
  • Undecyl cyanide
  • Lauric acid nitrile
  • n-Dodecanonitrile
  • 1-Cyanoundecane
  • NSC 1804
  • Arneel 12
  • Lauryl nitrile

Work with Dodecanenitrile

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 Undecanenitrile2244-07-7100 % 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

Dicyclohexylamine101-83-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook