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Molecule record

TRIDECANENITRILE

C13H25N

195.34 g/mol

2D structure for TRIDECANENITRILE

Molecular properties

Formula
C13H25N
Molar mass
195.34 g·mol−1
Exact mass
195.1987 Da
2
0
1
23.80 Ų
5.3 (PubChem computed XLogP3-AA descriptor)
CAS
629-60-7
PubChem CID
12390

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
Logp5.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Cyanododecane
  • 1Cyanododecane
  • 211-097-6
  • 629-60-7
  • AI3-16570
  • DTXCID3043578
  • DTXSID8060876
  • Dodecyl cyanide
Show all 22 synonyms
  • EINECS 211-097-6
  • Lauryl Cyanide
  • MFCD00039492
  • N-DODECYLCYANIDE
  • NSC 3886
  • NSC-3886
  • RefChem:191446
  • Tridecane nitrile
  • Tridecanenitrile, 98%
  • Tridecanonitrile
  • WKJHMKQSIBMURP-UHFFFAOYSA-N
  • n-Dodecyl cyanide
  • n-Tridecanonitrile
  • tridecannitril

Structure identifiers

Canonical SMILES
CCCCCCCCCCCCC#N
Isomeric SMILES
CCCCCCCCCCCCC#N
InChI
InChI=1S/C13H25N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-12H2,1H3
InChIKey
WKJHMKQSIBMURP-UHFFFAOYSA-N
PubChem CID
12390

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 TRIDECANENITRILE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for TRIDECANENITRILE; 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
TRIDECANENITRILE - Formula, Structure, Properties, IR and spectroscopy data | ChemArche