Basic information
- CAS
1615-70-9- Standard SMILES
C=CC=CC#N- InChIKey
STSRVFAXSLNLLI-UHFFFAOYSA-N- Molecular formula
- C5H5N
- Average molar mass
- 79.1 g/mol
- Monoisotopic mass
- 79.04219916
Names & identifiers
- Preferred name
- 2,4-Pentadienenitrile
- IUPAC
- penta-2,4-dienenitrile
Names & synonyms
2,4-PentadienenitrileDTXSID8075099Penta2,4dienenitrileRefChem:443949DTXCID20351961-cyanobuta-1,3-diene1-CYANO BUTADIENESCHEMBL714812SCHEMBL20138598SCHEMBL20138601SCHEMBL22070186SCHEMBL22070187
Show more names
NS00045868
Database identifiers
- CAS
1615-70-9- PubChem CID
- 74170
- DTXSID
DTXSID8075099
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionSoluble in water (15 g/L); [ChemIDplus]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITRILES.
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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