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Basic information
- CAS
7477-80-7- Standard SMILES
O=C(CN1CCCc2ccccc21)c1ccc(Cl)cc1- InChIKey
NJKMKSJWEQLMGQ-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO
- Average molar mass
- 285.8 g/mol
- Monoisotopic mass
- 285.0920418
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
- IUPAC
- 1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
- English name
- 1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
- Molecular formula
- C17H16ClNO
- Molecular weight
- 285.77
Names & synonyms
7477-80-7NSC402817DTXSID80323022AKOS009046863NSC-4028171-(4-Chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl)ethanone1-(4-Chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one1-(4-chlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanoneEthanone, 1-(4-chlorophenyl)-2-(3,4-dihydro-1(2H)-quinolinyl)-
Database identifiers
- CAS
7477-80-7- PubChem CID
- 345294
- DTXSID
DTXSID80323022
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 468.1 · 468.1±30.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 3.82 · 3.82±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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