chempirical

Dodecanedinitrile

C12H20N2CAS 4543-66-2192.31 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C12H20N2
Molar mass
192.31 g/mol
Exact mass
192.1626 Da
Melting point
20.4 °C
Boiling point
156–157 °C (at 2 Torr)
logP
3.93Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Identifiers

CAS number
4543-66-2
SMILES
N#CCCCCCCCCCCC#N
InChIKey
AVQYXBDAZWIFTO-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-10H2

Weigh it out

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

Names and synonyms

5 names
  • Dodecanodinitrile
  • Decamethylenedinitrile
  • 1,10-Dicyanodecane
  • 1,12-Dodecanedinitrile
  • NSC 59852

Work with Dodecanedinitrile

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

Octanedinitrile629-40-3100 % similar Pimelonitrile646-20-8100 % similar Adiponitrile111-69-392 % similar Octanenitrile124-12-967 % similar Decanenitrile1975-78-667 % similar 7-Bromoheptanenitrile20965-27-967 % similar Nonanenitrile2243-27-867 % similar Undecanenitrile2244-07-767 % similar

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

Same formula

2-(Aminomethyl)-N-butyl-N-methylaniline1020988-06-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook