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Molecule record

Nonanenitrile

C9H17N

139.24 g/mol

2D structure for Nonanenitrile

Molecular properties

Formula
C9H17N
Molar mass
139.24 g·mol−1
Exact mass
139.1361 Da
2
0
1
23.80 Ų
3.1 (PubChem computed XLogP3-AA descriptor)
CAS
2243-27-8
PubChem CID
16715

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
Logp3.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Cyanooctane
  • 1-Octyl cyanide
  • 218-808-9
  • 2243-27-8
  • 6Q10KP3P20
  • DTXCID002183
  • DTXSID6022183
  • EINECS 218-808-9
Show all 22 synonyms
  • MFCD00001985
  • NONANONITRILE
  • NSC 5560
  • NSC-5560
  • Nonanitrile
  • Octyl cyanide
  • Pelargonitrile
  • Pelargononitrile
  • RefChem:166451
  • n-Nonanenitrile
  • n-Nonanonitrile
  • n-Octanenitrile
  • n-Octyl cyanide
  • n-Octylcyanide

Structure identifiers

Canonical SMILES
CCCCCCCCC#N
Isomeric SMILES
CCCCCCCCC#N
InChI
InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
InChIKey
PLZZPPHAMDJOSR-UHFFFAOYSA-N
PubChem CID
16715

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 Nonanenitrile; not experimental data.

Simulated EI mass spectrum

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