Basic information
- CAS
6519-09-1- Standard SMILES
CCCC=C(C#N)c1ccccc1- InChIKey
UYBGOPSMJQAVEH-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- 2-Phenylhex-2-enenitrile
- IUPAC
- 2-phenylhex-2-enenitrile
Names & synonyms
2-phenylhex-2-enenitrile6519-09-1SCHEMBL3174321alpha-ButylidenebenzeneacetonitrileUYBGOPSMJQAVEH-UHFFFAOYSA-NDTXSID601352822
Database identifiers
- CAS
6519-09-1- PubChem CID
- 522157
- DTXSID
DTXSID601352822- EC Number
- 613-754-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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