Basic information
- CAS
154819-92-8- Standard SMILES
CCOC(=O)C12CCCC=C1N(Cc1ccccc1)C(=O)CC2- InChIKey
MBDOTLCQAGORQF-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- ethyl 1-benzyl-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxylate
- IUPAC
- ethyl 1-benzyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate
- English name
- Ethyl 1-benzyl-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxylate
- Molecular formula
- C19H23NO3
- Molecular weight
- 313.39
Names & synonyms
154819-92-8ethyl 1-benzyl-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxylateethyl 1-benzyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylateMFCD00975006ethyl 1-benzyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxylateOprea1_205422ALBB-034312AKOS0050831691M-939H47595ethyl1-benzyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxylateETHYL 1-BENZYL-2-OXO-1,3,4,5,6,7-HEXAHYDROQUINOLINE-4A(2H)-CARBOXYLATE
Show more names
Reaxys ID: 68188524a(2H)-Quinolinecarboxylic acid, 1,3,4,5,6,7-hexahydro-2-oxo-1-(phenylmethyl)-, ethyl ester
Database identifiers
- CAS
154819-92-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- Boiling point
- 486.8 · 486.8±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- -2.26 · -2.26±0.40(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
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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