Basic information
- CAS
303102-28-5- Standard SMILES
Cc1ccc(CN2CCN(/N=C/c3ccc(Br)s3)CC2)cc1- InChIKey
XOMLMJAWGVMUAW-XDHOZWIPSA-N- Molecular formula
- C17H20BrN3S
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.05613
Names & identifiers
- Preferred name
- N-((5-Bromo-2-thienyl)methylene)-4-(4-methylbenzyl)-1-piperazinamine
- IUPAC
- (E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
- English name
- (E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
- Molecular formula
- C17H20BrN3S
- Molecular weight
- 378.33
Names & synonyms
303102-28-5N-((5-BROMO-2-THIENYL)METHYLENE)-4-(4-METHYLBENZYL)-1-PIPERAZINAMINEN-[(5-bromo-2-thienyl)methylene]-4-(4-methylbenzyl)-1-piperazinamineRefChem:823099683-825-4(E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimineSTL335594AKOS000554831BIM-0005857.P001(E)-N-((5-bromothiophen-2-yl)methylene)-4-(4-methylbenzyl)piperazin-1-amineN-[(E)-(5-bromothiophen-2-yl)methylidene]-4-(4-methylbenzyl)piperazin-1-amine1-Piperazinamine, N-[(5-bromo-2-thienyl)methylene]-4-[(4-methylphenyl)methyl]-
Database identifiers
- CAS
303102-28-5- PubChem CID
- 5347882
- EC Number
- 683-825-4
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 490.881 · 490.881±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.385 · 1.385±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.211 · 6.211±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H413-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H413-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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