Molecular properties
- Formula
- C3H5N
- Molar mass
- 55.08 g·mol−1
- Exact mass
- 55.0422 Da
- 2
- 0
- 1
- 23.80 Ų
- 0.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 107-12-0
- PubChem CID
- 7854
Molecule record
PROPIONITRILE
C3H5N
55.08 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 | 0.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 107-12-0
- 203-464-4
- CHEBI:26307
- Cyanoethane
- DTXCID401879
- DTXSID1021879
- E16N05FX3S
- EtCN
Show all 22 synonyms
- Ether cyanatus
- Ethyl cyanide
- Ethylkyanid
- Hydrocyanic ether
- NSC 7966
- NSC-7966
- Propanenitrile
- Propannitril
- Propionic nitrile
- Propiononitrile
- Propylnitrile
- RCRA waste number P101
- RefChem:6168
- n-Propanenitrile
Structure identifiers
- Canonical SMILES
- CCC#N
- Isomeric SMILES
- CCC#N
- InChI
- InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
- InChIKey
- FVSKHRXBFJPNKK-UHFFFAOYSA-N
- PubChem CID
- 7854
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 PROPIONITRILE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for PROPIONITRILE; 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.