2-Oxo-2-phenylethyl 2-(4-heptylphenyl)-4-quinolinecarboxylate
Basic information
- CAS
355433-33-9- Standard SMILES
CCCCCCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3ccccc3n2)cc1- InChIKey
PSERSSHWIGDIIL-UHFFFAOYSA-N- Molecular formula
- C31H31NO3
- Average molar mass
- 465.6 g/mol
- Monoisotopic mass
- 465.23039385
Names & identifiers
- Preferred name
- 2-Oxo-2-phenylethyl 2-(4-heptylphenyl)-4-quinolinecarboxylate
- IUPAC
- phenacyl 2-(4-heptylphenyl)quinoline-4-carboxylate
Names & synonyms
355433-33-92-oxo-2-phenylethyl 2-(4-heptylphenyl)-4-quinolinecarboxylateRefChem:88906632-459-32-oxo-2-phenylethyl 2-(4-heptylphenyl)quinoline-4-carboxylateDTXSID701182775STK391685AKOS005432235ST50901252
Database identifiers
- CAS
355433-33-9- PubChem CID
- 3446337
- DTXSID
DTXSID701182775- EC Number
- 632-459-3
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 650
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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