2-(4-Heptylphenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylate
Basic information
- CAS
355429-23-1- Standard SMILES
CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(CC)cc3)nc3ccc(C)cc23)cc1- InChIKey
BZANZPYAKANFFI-UHFFFAOYSA-N- Molecular formula
- C34H37NO3
- Average molar mass
- 507.7 g/mol
- Monoisotopic mass
- 507.27734404
Names & identifiers
- Preferred name
- 2-(4-Heptylphenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylate
- IUPAC
- [2-(4-heptylphenyl)-2-oxoethyl] 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate
- English name
- SALOR-INT L208663-1EA
- Molecular formula
- C34H37NO3
- Molecular weight
- 507.66
Names & synonyms
355429-23-12-(4-heptylphenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methyl-4-quinolinecarboxylateRefChem:457766632-448-32-(4-heptylphenyl)-2-oxoethyl 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylateSTK196158AKOS005414308SALOR-INT L208663-1EA4-Quinolinecarboxylic acid, 2-(4-ethylphenyl)-6-methyl-, 2-(4-heptylphenyl)-2-oxoethyl ester
Database identifiers
- CAS
355429-23-1- PubChem CID
- 3754865
- EC Number
- 632-448-3
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 721
Physicochemical properties
- Boiling point
- 687.9 · 687.9±55.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- pka
- 2.11 · 2.11±0.33(Predicted)
- Hazard statements
- 413 · H413
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%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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