1-Benzoyl-1,2,3,4-tetrahydroquinoline
Basic information
- CAS
16078-38-9- Standard SMILES
O=C(c1ccccc1)N1CCCc2ccccc21- InChIKey
CEBQABUYWIZVHQ-UHFFFAOYSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Names & identifiers
- Preferred name
- 1-Benzoyl-1,2,3,4-tetrahydroquinoline
- IUPAC
- 3,4-dihydro-2H-quinolin-1-yl(phenyl)methanone
- English name
- Quinoline, 1-benzoyl-1,2,3,4-tetrahydro-
- Molecular formula
- C16H15NO
- Molecular weight
- 237.3
Names & synonyms
1-Benzoyl-1,2,3,4-tetrahydroquinoline16078-38-9MFCD006902093,4-dihydro-1(2H)-quinolinyl(phenyl)methanone3,4-dihydro-2H-quinolin-1-yl(phenyl)methanoneZINC143451(3,4-Dihydroquinolin-1(2H)-yl)(phenyl)methanoneQuinoline, 1-benzoyl-1,2,3,4-tetrahydro-ZINC00143451BenzoyltetrahydrochinolinBionet2_000671Oprea1_513067
Show more names
Methanone, (3,4-dihydro-1(2H)-quinolinyl)phenyl-
Oprea1_753526(3,4-Dihydro-2H-quinolin-1-yl)-phenyl-methanoneMLS000120948SCHEMBL6198490SCHEMBL6198494SCHEMBL6198498CHEMBL1452545SCHEMBL29463754
Database identifiers
- CAS
16078-38-9- PubChem CID
- 569322
- DTXSID
DTXSID101288000- ChEMBL
CHEMBL1452545- Nikkaji
- J183.749D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 74 · 74-75.2 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 395.4 · 395.4±25.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 1.04 · 1.04±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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