Basic information
- CAS
436093-16-2- Standard SMILES
O=C(O)C1CCCN(C(=O)c2ccc(F)cc2)C1- InChIKey
RVLHLMFNCSEIHG-UHFFFAOYSA-N- Molecular formula
- C13H14FNO3
- Average molar mass
- 251.25 g/mol
- Monoisotopic mass
- 251.09577147
Names & identifiers
- Preferred name
- 1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid
- IUPAC
- 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
- English name
- 1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid
- Molecular formula
- C13H14FNO3
- Molecular weight
- 251.25
Names & synonyms
1-(4-fluorobenzoyl)piperidine-3-carboxylic Acid436093-16-2RefChem:425476981-299-3MFCD032786943-Piperidinecarboxylic acid, 1-(4-fluorobenzoyl)-1-[(4-fluorophenyl)carbonyl]piperidine-3-carboxylic acidOprea1_130932Oprea1_4094421-(4-Fluoro-benzoyl)-piperidine-3-carboxylic acidSCHEMBL191835RVLHLMFNCSEIHG-UHFFFAOYSA-N
Show more names
1-(4-fluorobenzoyl)nipecotic acid1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid
HMS1776G11ALBB-016198BJB88287BBL022674STL261784AKOS000264234AKOS017259326VS-07249
Database identifiers
- CAS
436093-16-2- PubChem CID
- 4713643
- EC Number
- 981-299-3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
8 records
Compound notes
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