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Molecule record

DECANENITRILE

C10H19N

153.26 g/mol

2D structure for DECANENITRILE

Molecular properties

Formula
C10H19N
Molar mass
153.26 g·mol−1
Exact mass
153.1517 Da
2
0
1
23.80 Ų
3.7 (PubChem computed XLogP3-AA descriptor)
CAS
1975-78-6
PubChem CID
74791

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
Logp3.7PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Cyanononane
  • 1-Decanenitrile
  • 1602VQ5IVC
  • 1975-78-6
  • 1Cyanononane
  • 217-830-6
  • AI3-11101
  • Caprinitrile
Show all 22 synonyms
  • DTXCID307449
  • DTXSID9027449
  • Decanonitrile
  • EC 217-830-6
  • EINECS 217-830-6
  • MFCD00039505
  • NSC 6085
  • NSC-6085
  • Nonyl cyanide
  • RefChem:585458
  • UNII-1602VQ5IVC
  • decane nitrile
  • n-Decanenitrile
  • n-Nonyl cyanide

Structure identifiers

Canonical SMILES
CCCCCCCCCC#N
Isomeric SMILES
CCCCCCCCCC#N
InChI
InChI=1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
InChIKey
HBZDPWBWBJMYRY-UHFFFAOYSA-N
PubChem CID
74791

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 DECANENITRILE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for DECANENITRILE; 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