Basic information
- CAS
303105-27-3- Standard SMILES
Clc1ccc(CN2CCN(/N=C/c3ccc(Br)s3)CC2)cc1- InChIKey
VODDMAZZKKYCHC-YBFXNURJSA-N- Molecular formula
- C16H17BrClN3S
- Average molar mass
- 398.7 g/mol
- Monoisotopic mass
- 397.00151
Names & identifiers
- Preferred name
- N-((5-Bromo-2-thienyl)methylene)-4-(4-chlorobenzyl)-1-piperazinamine
- IUPAC
- (E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
- English name
- (E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimine
- Molecular formula
- C16H17BrClN3S
- Molecular weight
- 398.75
Names & synonyms
303105-27-3N-((5-Bromo-2-thienyl)methylene)-4-(4-chlorobenzyl)-1-piperazinamineN-[(5-bromo-2-thienyl)methylene]-4-(4-chlorobenzyl)-1-piperazinamineRefChem:823098652-191-06071-08-5(E)-1-(5-bromothiophen-2-yl)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanimineAC1NT7J9(E)-1-(5-BROMOTHIOPHEN-2-YL)-N-{4-[(4-CHLOROPHENYL)METHYL]PIPERAZIN-1-YL}METHANIMINEDTXSID90417441STL335706AKOS001024923
Show more names
1-Piperazinamine, N-[(5-bromo-2-thienyl)methylene]-4-[(4-chlorophenyl)methyl]-
N-[(E)-(5-bromo-2-thienyl)methylidene]-4-(4-chlorobenzyl)-1-piperazinamineBIM-0007887.P001Z56796887(E)-N-((5-bromothiophen-2-yl)methylene)-4-(4-chlorobenzyl)piperazin-1-amineN-[(E)-(5-bromothiophen-2-yl)methylidene]-4-(4-chlorobenzyl)piperazin-1-amine
Database identifiers
- CAS
303105-27-3、6071-08-5
Properties
Computed structural properties
- XLogP
- 5.1
- 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
- 368
Physicochemical properties
- Boiling point
- 502.162 · 502.162±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.492 · 1.492±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.895 · 5.895±0.70(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H413-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H302-H335-H413-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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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