Basic information
- CAS
303102-24-1- Standard SMILES
Cc1ccc(CN2CCN(/N=C/c3cc(Br)ccc3F)CC2)cc1- InChIKey
KIQPMMWFSVTJNX-LPYMAVHISA-N- Molecular formula
- C19H21BrFN3
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 389.09029
Names & identifiers
- Preferred name
- N-(5-Bromo-2-fluorobenzylidene)-4-(4-methylbenzyl)-1-piperazinamine
- IUPAC
- (E)-1-(5-bromo-2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
Names & synonyms
N-(5-BROMO-2-FLUOROBENZYLIDENE)-4-(4-METHYLBENZYL)-1-PIPERAZINAMINERefChem:828055303102-24-1683-917-4(5-Bromo-2-fluoro-benzylidene)-[4-(4-methyl-benzyl)-piperazin-1-yl]-amineMLS001205105CHEMBL3210753AKOS000554800SMR000516990ST50748143Z567980811-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-4-[(4-methylphenyl)methyl]piper azine
Database identifiers
- CAS
303102-24-1- PubChem CID
- 6900545
- ChEMBL
CHEMBL3210753- EC Number
- 683-917-4
Properties
Computed structural properties
- XLogP
- 4.6
- 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
- 403
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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