Basic information
- CAS
52939-90-9- Standard SMILES
Cc1ccc(C(N)=CC(=O)c2ccccc2)cc1- InChIKey
PIIXWKIYIRGSFA-UHFFFAOYSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Names & identifiers
- Preferred name
- Agn-PC-036ewq
- IUPAC
- 3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
- English name
- 3-Amino-3-(4-methylphenyl)-1-phenyl-2-propen-1-one
- Molecular formula
- C16H15NO
- Molecular weight
- 237.3
Names & synonyms
52939-90-9AGN-PC-036EWQ3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-oneDTXSID90346989DB-2940863-Amino-3-(4-methylphenyl)-1-phenyl-2-propen-1-one2-Propen-1-one, 3-amino-3-(4-methylphenyl)-1-phenyl-
Database identifiers
- CAS
52939-90-9- PubChem CID
- 616876
- DTXSID
DTXSID90346989
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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