Basic information
- CAS
353255-79-5- Standard SMILES
O=c1cc(NC2CCN(CC=Cc3ccccc3)CC2)c2ccccc2o1- InChIKey
FIRKPDSIWCEKFV-UHFFFAOYSA-N- Molecular formula
- C23H24N2O2
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- 4-[[1-(3-Phenylprop-2-enyl)piperidin-4-yl]amino]chromen-2-one
- IUPAC
- 4-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]chromen-2-one
- English name
- 4-[(1-cinnamyl-4-piperidinyl)amino]-2H-chromen-2-one
- Molecular formula
- C23H24N2O2
- Molecular weight
- 360.45
Names & synonyms
Oprea1_347962SCHEMBL61881884-[(1-cinnamyl-4-piperidinyl)amino]-2H-chromen-2-one
Database identifiers
- CAS
353255-79-5
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Boiling point
- 569.32 · 569.320±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.218 · 1.218±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.51 · 8.510±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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