Basic information
- CAS
498534-85-3- Standard SMILES
Cc1cc(OCc2ccccc2)ccc1C(O)=C1C(=O)C(=O)N(CCN(C)C)C1c1ccccc1- InChIKey
JULJVUDUVIOFGY-UHFFFAOYSA-N- Molecular formula
- C29H30N2O4
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.22055744
Names & identifiers
- Preferred name
- 4-[4-(benzyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-phenyl-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- 1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
- English name
- 4-(4-(benzyloxy)-2-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one
- Molecular formula
- C29H30N2O4
- Molecular weight
- 470.56
Names & synonyms
4-[4-(benzyloxy)-2-methylbenzoyl]-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-phenyl-2,5-dihydro-1H-pyrrol-2-one498534-85-34-(4-(benzyloxy)-2-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one4-[4-(BENZYLOXY)-2-METHYLBENZOYL]-1-[2-(DIMETHYLAMINO)ETHYL]-3-HYDROXY-5-PHENYL-1,5-DIHYDRO-2H-PYRROL-2-ONE2H-Pyrrol-2-one, 1-[2-(dimethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-[2-methyl-4-(phenylmethoxy)benzoyl]-5-phenyl-
Database identifiers
- CAS
498534-85-3- PubChem CID
- 3900932
- EC Number
- 134-804-9
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 767
Physicochemical properties
- Boiling point
- 678.8 · 678.8±55.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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