Molecular properties
- Formula
- C2H3N
- Molar mass
- 41.05 g·mol−1
- Exact mass
- 41.0265 Da
- 2
- 0
- 1
- 23.80 Ų
- 0 (PubChem computed XLogP3-AA descriptor)
- CAS
- 75-05-8
- PubChem CID
- 6342
Molecule record
ACETONITRILE
C2H3N
41.05 g/mol
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
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 0 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 200-835-2
- 75-05-8
- AI3-00327
- Acetonitril
- CHEBI:38472
- Cyanomethane
- Cyanure de methyl
- DTXCID909
Show all 22 synonyms
- DTXSID7020009
- Ethanenitrile
- Ethyl nitrile
- MeCN
- Methane, cyano-
- Methanecarbonitrile
- Methyl cyanide
- Methylkyanid
- NCI-C60822
- NSC-7593
- RCRA waste number U003
- RefChem:6609
- USAF EK-488
- Z072SB282N
Structure identifiers
- Canonical SMILES
- CC#N
- Isomeric SMILES
- CC#N
- InChI
- InChI=1S/C2H3N/c1-2-3/h1H3
- InChIKey
- WEVYAHXRMPXWCK-UHFFFAOYSA-N
- PubChem CID
- 6342
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
2250 cm−1C≡N nitrile (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for ACETONITRILE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for ACETONITRILE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.