4-Piperidinecarboxylic acid, 1-[(3-fluorophenyl)methyl]-, hydrochloride (1:1)
Basic information
- CAS
451485-55-5- Standard SMILES
Cl.O=C(O)C1CCN(Cc2cccc(F)c2)CC1- InChIKey
WARIOFWBPVKCMR-UHFFFAOYSA-N- Molecular formula
- C13H17ClFNO2
- Average molar mass
- 273.73 g/mol
- Monoisotopic mass
- 273.0931846
Names & identifiers
- Preferred name
- 4-Piperidinecarboxylic acid, 1-[(3-fluorophenyl)methyl]-, hydrochloride (1:1)
- IUPAC
- 1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
- English name
- 1-(3-Fluorobenzyl)piperidine-4-carboxylic acid hydrochloride
- Molecular formula
- C13H17ClFNO2
- Molecular weight
- 273.73
Names & synonyms
451485-55-54-Piperidinecarboxylic acid, 1-((3-fluorophenyl)methyl)-, hydrochloride (1:1)4-Piperidinecarboxylic acid, 1-[(3-fluorophenyl)methyl]-, hydrochloride (1:1)RefChem:2956191-(3-fluorobenzyl)piperidine-4-carboxylic acid hydrochloride1-(3-Fluorobenzyl)-4-piperidinecarboxylic acid hydrochlorideMFCD034257401-[(3-fluorophenyl)methyl]piperidine-4-carboxylic Acid Hydrochloride1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride1-(3-FLUOROBENZYL)-4-PIPERIDINECARBOXYLICACID HYDROCHLORIDEDTXSID30382402AKOS005069906
Show more names
MB02821DB-017214CS-03231162T-0249F0107311-(3-fluorobenzyl)piperidine-4-carboxylicacidhydrochloride1-[(3-Fluorophenyl)methyl]piperidine-4-carboxylic acid HCl1-[(3-Fluorophenyl)methyl]piperidine-4-carboxylic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
451485-55-5- PubChem CID
- 2783017
- DTXSID
DTXSID30382402- EC Number
- 671-692-5
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 220 · 220-223
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H312-H319-H332-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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, P317, 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%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H312-H319-H332-H302
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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