(E)-N-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-4-oxobut-2-enamide
Basic information
- CAS
331461-85-9- Standard SMILES
CCOc1ccc(C(=O)/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2)cc1- InChIKey
CFFXAVGODUPQPF-CCEZHUSRSA-N- Molecular formula
- C22H25NO3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.18344366
Names & identifiers
- Preferred name
- (E)-N-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-4-oxobut-2-enamide
- IUPAC
- (E)-N-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-4-oxobut-2-enamide
Names & synonyms
331461-85-9(2E)-N-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-4-oxobut-2-enamide(E)-N-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-4-oxobut-2-enamideAKOS005107148JS-0704(2E)-N-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-4-oxo-2-butenamide(E)-N-[4-(tert-butyl)phenyl]-4-(4-ethoxyphenyl)-4-oxo-2-butenamide
Database identifiers
- CAS
331461-85-9- PubChem CID
- 6019673
- EC Number
- 151-238-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 490
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)
The GHS information provided by 1 company from 1 notification 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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