Basic information
- CAS
1800303-78-9- Standard SMILES
Cl.FC(F)(F)Oc1ccc(CC2CCNCC2)cc1- InChIKey
SXSDTOUKWBVAHF-UHFFFAOYSA-N- Molecular formula
- C13H17ClF3NO
- Average molar mass
- 295.73 g/mol
- Monoisotopic mass
- 295.0950763
Names & identifiers
- Preferred name
- 4-((4-(Trifluoromethoxy)phenyl)methyl)piperidine hydrochloride
- IUPAC
- 4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine;hydrochloride
Names & synonyms
1800303-78-94-{[4-(trifluoromethoxy)phenyl]methyl}piperidine hydrochloride4-((4-(Trifluoromethoxy)phenyl)methyl)piperidine hydrochlorideRefChem:509315897-126-9SCHEMBL18280114SXSDTOUKWBVAHF-UHFFFAOYSA-NEN300-28262657Z50474019314-[[4-(Trifluoromethoxy)phenyl]methyl]piperidine;hydrochloride
Database identifiers
- CAS
1800303-78-9- PubChem CID
- 124106931
- EC Number
- 897-126-9
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 243
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, 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)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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