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Molecule record

2-methyldodecanenitrile

C13H25N

195.35 g/mol

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Molecular properties

Formula
C13H25N
Molar mass
195.35 g·mol−1
Exact mass
195.1987 Da
2
PubChem CID
103424

Functional groups

Alkane / alkyl carbon
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-Methyldodecanonitrile
  • 2-cyanododecane
  • 65644-60-2
  • 8W9D5S8DPX
  • DTXSID80984197
  • Dodecanenitrile, 2-methyl-
  • EINECS 265-850-9
  • NS00056700
Show all 11 synonyms
  • SCHEMBL22207069
  • SCHEMBL9787863
  • alpha-Methyldodecanenitrile

Structure identifiers

Canonical SMILES
CCCCCCCCCCC(C)C#N
Isomeric SMILES
CCCCCCCCCCC(C)C#N
InChI
InChI=1S/C13H25N/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h13H,3-11H2,1-2H3
InChIKey
ADJWCDXUXUVWNV-UHFFFAOYSA-N
PubChem CID
103424

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-methyldodecanenitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methyldodecanenitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record