Basic information
- CAS
355429-09-3- Standard SMILES
CCc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1- InChIKey
GLWAQMHVJSAOMO-UHFFFAOYSA-N- Molecular formula
- C27H23NO3
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.1677936
Names & identifiers
- Preferred name
- 2-(4-Ethylphenyl)-2-oxoethyl 8-methyl-2-phenyl-4-quinolinecarboxylate
- IUPAC
- [2-(4-ethylphenyl)-2-oxoethyl] 8-methyl-2-phenylquinoline-4-carboxylate
Names & synonyms
355429-09-32-(4-ethylphenyl)-2-oxoethyl 8-methyl-2-phenyl-4-quinolinecarboxylateRefChem:457581632-535-62-(4-ethylphenyl)-2-oxoethyl 8-methyl-2-phenylquinoline-4-carboxylateOprea1_155844STK196143AKOS005414326ST50897538
Database identifiers
- CAS
355429-09-3- PubChem CID
- 3537814
- EC Number
- 632-535-6
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 606
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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