Basic information
- CAS
1049872-87-8- Standard SMILES
Fc1cccc(-c2ccc(CN3CCNCC3)s2)c1- InChIKey
NBPPEKAUGDVWRK-UHFFFAOYSA-N- Molecular formula
- C15H17FN2S
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.10964789
Names & identifiers
- Preferred name
- 1-((5-(3-Fluorophenyl)thiophen-2-yl)methyl)piperazine
- IUPAC
- 1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine
- English name
- 1-{[5-(3-Fluorophenyl)thiophen-2-yl]methyl}piperazine
- Molecular formula
- C15H17FN2S
- Molecular weight
- 276.37
Names & synonyms
1-{[5-(3-fluorophenyl)thiophen-2-yl]methyl}piperazine1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazinePiperazine, 1-[[5-(3-fluorophenyl)-2-thienyl]methyl]-1-((5-(3-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)PIPERAZINEPiperazine, 1-((5-(3-fluorophenyl)-2-thienyl)methyl)-RefChem:418731108-185-01049872-87-81-([5-(3-fluorophenyl)thien-2-yl]methyl)piperazineDTXSID801212632ZRB87287CS-0246602
Show more names
EN300-33377G24526Z348085622
Database identifiers
- CAS
1049872-87-8- PubChem CID
- 28819331
- DTXSID
DTXSID801212632- EC Number
- 108-185-0
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 43.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 387 · 387.0±37.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 9.05 · 9.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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