Sbb015601
Basic information
- CAS
349644-03-7- Standard SMILES
O=C(O)CCC(=O)N1CCCc2ccccc21- InChIKey
DNKIZDFFMHNPNH-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- Sbb015601
- IUPAC
- 4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid
- English name
- 4-(3,4-Dihydro-2H-quinolin-1-yl)-4-oxo-butyric acid
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
349644-03-7SBB015601DTXSID30351259RefChem:379927DTXCID103023254-(3,4-Dihydro-2H-quinolin-1-yl)-4-oxo-butyric acid4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOIC ACIDMFCD001188224-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoic acid4-(3,4-Dihydro-2H-quinolin-1-yl)-4-oxobutyric acid4-oxo-4-(1,2,3,4-tetrahydroquinolyl)butanoic acid4-[3,4-Dihydroquinolin-1(2H)-yl]-4-oxobutanoic Acid
Show more names
OTAVA-BB 71132208061(2H)-Quinolinebutanoic acid, 3,4-dihydro-γ-oxo-
HMS1433A14OTAVA-BB BB7113220806Maybridge3_000718Oprea1_242554AURORA 14192SCHEMBL8343388AKOS BBS-00008893UKRORGSYN-BB BBV-036854
Database identifiers
- CAS
349644-03-7- PubChem CID
- 694944
- DTXSID
DTXSID30351259
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 512.4 · 512.4±43.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.17(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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