(3Z,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one
Basic information
- CAS
330657-32-4- Standard SMILES
CCN1C/C(=C/c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1- InChIKey
MHYXNBSIQMFQCB-MJZABRMRSA-N- Molecular formula
- C21H19Br2NO
- Average molar mass
- 461.2 g/mol
- Monoisotopic mass
- 458.98334
Names & identifiers
- Preferred name
- (3Z,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one
- IUPAC
- (3Z,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one
Names & synonyms
(3Z,5E)-3,5-bis[(4-bromophenyl)methylidene]-1-ethylpiperidin-4-one330657-32-4SCHEMBL15562281AKOS000122112EN300-02584AB00714890-01
Database identifiers
- CAS
330657-32-4- PubChem CID
- 2395940
- EC Number
- 123-145-2
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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