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Molecule record

Dodecanenitrile

C12H23N

181.32 g/mol

2D structure for Dodecanenitrile

Molecular properties

Formula
C12H23N
Molar mass
181.32 g·mol−1
Exact mass
181.1830 Da
2
0
1
23.80 Ų
4.7 (PubChem computed XLogP3-AA descriptor)
CAS
2437-25-4
PubChem CID
17092

Interactions

Polarity
Polar functional group with nonpolar contribution from the carbon skeleton.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Nitrile

Physical properties

PropertyValueConditionsSource
Logp4.7PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Cyanoundecane
  • 219-440-1
  • 2437-25-4
  • AI3-00311
  • BRN 0970348
  • DTXSID1022188
  • Decylacetonitrile
  • Dodecane nitrile
Show all 22 synonyms
  • Dodecanonitrile
  • EINECS 219-440-1
  • LAURONITRILE
  • Lauric acid nitrile
  • Lauric nitrile
  • MFCD00001946
  • NSC 1804
  • NSC-1804
  • Nitrile 12
  • RefChem:135430
  • TL45I6761P
  • UNII-TL45I6761P
  • Undecyl cyanide
  • n-Undecyl cyanide

Structure identifiers

Canonical SMILES
CCCCCCCCCCCC#N
Isomeric SMILES
CCCCCCCCCCCC#N
InChI
InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey
VXCUURYYWGCLIH-UHFFFAOYSA-N
PubChem CID
17092

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

2250 cm−1C≡N nitrile (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Dodecanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Dodecanenitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record