1-(Dimethylamino)-5-(4-methoxyphenyl)penta-1,4-dien-3-one
Basic information
- CAS
320416-17-9- Standard SMILES
COc1ccc(C=CC(=O)C=CN(C)C)cc1- InChIKey
CBUFWNOYKAVVIK-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- 1-(Dimethylamino)-5-(4-methoxyphenyl)penta-1,4-dien-3-one
- IUPAC
- 1-(dimethylamino)-5-(4-methoxyphenyl)penta-1,4-dien-3-one
- English name
- 1-(Dimethylamino)-5-(4-methoxyphenyl)-1,4-pentadien-3-one
- Molecular formula
- C14H17NO2
- Molecular weight
- 231.29
Names & synonyms
1-(dimethylamino)-5-(4-methoxyphenyl)penta-1,4-dien-3-one320416-17-91-(dimethylamino)-5-(4-methoxyphenyl)-1,4-pentadien-3-oneDTXSID801198715AKOS0302420151,4-Pentadien-3-one, 1-(dimethylamino)-5-(4-methoxyphenyl)-(1Z,4E)-1-(dimethylamino)-5-(4-methoxyphenyl)penta-1,4-dien-3-one(1E,4E)-1-(Dimethylamino)-5-(4-methoxyphenyl)-penta-1,4-dien-3-one
Database identifiers
- CAS
320416-17-9- PubChem CID
- 1476938
- DTXSID
DTXSID801198715
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 370.9 · 370.9±32.0 °C(Predicted)
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- pka
- 6.48 · 6.48±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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