1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine
Basic information
- CAS
1050909-79-9- Standard SMILES
Brc1ccc(-c2ccc(CN3CCNCC3)s2)cc1- InChIKey
XKPVNORDQKPEBW-UHFFFAOYSA-N- Molecular formula
- C15H17BrN2S
- Average molar mass
- 337.3 g/mol
- Monoisotopic mass
- 336.02958
Names & identifiers
- Preferred name
- 1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine
- IUPAC
- 1-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazine
Names & synonyms
1-{[5-(4-bromophenyl)thiophen-2-yl]methyl}piperazine1050909-79-91-[[5-(4-bromophenyl)thiophen-2-yl]methyl]piperazine1-((5-(4-BROMOPHENYL)THIOPHEN-2-YL)METHYL)PIPERAZINECHEMBL4524283MFCD09971506AKOS034229655SY169779CS-0246015EN300-31526G245471-[[5-(4-Bromophenyl)-2-thienyl]methyl]piperazine
Show more names
Z327218404
Database identifiers
- CAS
1050909-79-9- PubChem CID
- 42951112
- ChEMBL
CHEMBL4524283- EC Number
- 127-248-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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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