chempirical

Tridecanenitrile

C13H25NCAS 629-60-7195.35 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C13H25N
Molar mass
195.35 g/mol
Exact mass
195.1987 Da
Melting point
9.7 °C
Boiling point
293 °C
logP
4.82Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
10

Identifiers

CAS number
629-60-7
SMILES
CCCCCCCCCCCCC#N
InChIKey
WKJHMKQSIBMURP-UHFFFAOYSA-N
InChI
InChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-12H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Tridecanonitrile
  • Dodecyl cyanide
  • Dodecanecarbonitrile
  • 1-Dodecyl cyanide
  • n-Tridecanonitrile
  • NSC 3886

Work with Tridecanenitrile

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 Dodecanenitrile2437-25-4100 % similar Heptanenitrile629-08-3100 % similar Octadecanenitrile638-65-3100 % similar Hexanenitrile628-73-994 % similar

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

Same formula

Methyldicyclohexylamine7560-83-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook