Basic information
- Standard SMILES
CCN(CCO)c1ccc(C=CC=O)cc1- InChIKey
WVIYHTSBXQALSD-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
Names & identifiers
- Preferred name
- 4-(N-2-hydroxyethyl-N-ethylamino)cinnamaldehyde
- IUPAC
- 3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]prop-2-enal
Names & synonyms
SCHEMBL9292039WVIYHTSBXQALSD-UHFFFAOYSA-N4-(N-2-hydroxyethyl-N-ethylamino)cinnamaldehyde
Database identifiers
- PubChem CID
- 54451596
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
5 records
Linked notes
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