Basic information
- CAS
667893-65-4- Standard SMILES
CCNc1ccccc(C(=O)C=Cc2ccc(OC)cc2)c1=O- InChIKey
BUHZMAFXKQVBDF-UHFFFAOYSA-N- Molecular formula
- C19H19NO3
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.13649347
Names & identifiers
- Preferred name
- 2-(Ethylamino)-7-[3-(4-methoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one
- IUPAC
- 2-(ethylamino)-7-[3-(4-methoxyphenyl)prop-2-enoyl]cyclohepta-2,4,6-trien-1-one
- English name
- 2-(ethylamino)-7-[3-(4-methoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one
- Molecular formula
- C19H19NO3
- Molecular weight
- 309.36
Names & synonyms
2-(ethylamino)-7-[3-(4-methoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one
Database identifiers
- CAS
667893-65-4- PubChem CID
- 4517308
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Boiling point
- 512.568 · 512.568±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.17 · 1.170±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.579 · 2.579±0.20(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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