N-(5-Bromo-2-fluorobenzylidene)-4-(4-chlorobenzyl)-1-piperazinamine
Basic information
- CAS
315224-23-8- Standard SMILES
Fc1ccc(Br)cc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1- InChIKey
FOJNXULFZVMRLV-WSDLNYQXSA-N- Molecular formula
- C18H18BrClFN3
- Average molar mass
- 410.7 g/mol
- Monoisotopic mass
- 409.03567
Names & identifiers
- Preferred name
- N-(5-Bromo-2-fluorobenzylidene)-4-(4-chlorobenzyl)-1-piperazinamine
- IUPAC
- (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
Names & synonyms
STL337669AKOS000554979315224-23-8ST50254625(E)-N-(5-bromo-2-fluorobenzylidene)-4-(4-chlorobenzyl)piperazin-1-amine(E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine1-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-4-[(4-chlorophenyl)methyl]piper azineN-(5-BROMO-2-FLUOROBENZYLIDENE)-4-(4-CHLOROBENZYL)-1-PIPERAZINAMINEN-[(E)-(5-bromo-2-fluorophenyl)methylidene]-4-(4-chlorobenzyl)piperazin-1-amine
Database identifiers
- CAS
315224-23-8- PubChem CID
- 6879409
- EC Number
- 122-173-2
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 409
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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