Basic information
- CAS
667893-68-7- Standard SMILES
CNc1ccccc(C(=O)C=Cc2ccc(C)c(C)c2)c1=O- InChIKey
KUROKIAHNLTJKC-UHFFFAOYSA-N- Molecular formula
- C19H19NO2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.14157885
Names & identifiers
- Preferred name
- 2-[3-(3,4-Dimethylphenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one
- IUPAC
- 2-[3-(3,4-dimethylphenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one
- English name
- 2-[3-(3,4-dimethylphenyl)acryloyl]-7-(methylamino)-2,4,6-cycloheptatrien-1-one
- Molecular formula
- C19H19NO2
- Molecular weight
- 293.36
Names & synonyms
2-[3-(3,4-dimethylphenyl)acryloyl]-7-(methylamino)-2,4,6-cycloheptatrien-1-one
Database identifiers
- CAS
667893-68-7- PubChem CID
- 5066922
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Boiling point
- 486.82 · 486.820±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.137 · 1.137±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.684 · 2.684±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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