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Molecule record

Tetradecanenitrile

C14H27N

209.37 g/mol

2D structure for Tetradecanenitrile

Molecular properties

Formula
C14H27N
Molar mass
209.37 g·mol−1
Exact mass
209.2143 Da
2
0
1
23.80 Ų
5.8 (PubChem computed XLogP3-AA descriptor)
CAS
629-63-0
PubChem CID
64678

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
Logp5.8PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Cyanotridecane
  • 211-099-7
  • 629-63-0
  • AI3-00310
  • DTXCID8043579
  • DTXSID3060877
  • EINECS 211-099-7
  • MFCD00019848
Show all 22 synonyms
  • MLRCLPRHEOPXLL-UHFFFAOYSA-N
  • Myristonitrile
  • Myristyl nitrile
  • N-TRIDECYL CYANIDE
  • NSC 910
  • NSC910
  • ORANILE
  • RefChem:188495
  • SCHEMBL1003191
  • SCHEMBL4756519
  • Tetradecanonitrile
  • Tridecyl Cyanide
  • clean nitrile
  • orb1705726

Structure identifiers

Canonical SMILES
CCCCCCCCCCCCCC#N
Isomeric SMILES
CCCCCCCCCCCCCC#N
InChI
InChI=1S/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3
InChIKey
MLRCLPRHEOPXLL-UHFFFAOYSA-N
PubChem CID
64678

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 Tetradecanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Tetradecanenitrile; 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