Pipecolic Acid
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Basic information
- CAS
3105-95-1- Standard SMILES
O=C(O)C1CCCCN1- InChIKey
HXEACLLIILLPRG-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Overview
Pipecolic acid is a piperidinemonocarboxylic acid in which the carboxy group is located at position C-2. It is a conjugate acid of a pipecolate.
Names & identifiers
- Preferred name
- Pipecolic Acid
- IUPAC
- piperidine-2-carboxylic acid
- English name
- DL-Pipecolinic acid
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
piperidine-2-carboxylic acidPipecolic acid535-75-1Pipecolinic acid2-PIPERIDINECARBOXYLIC ACIDDL-Pipecolic acidDihydrobaikianePiperolinic acidH254GW7PVVNSC-17125CHEBI:17964DTXSID40862144
Show more names
H-DL-Pip-OHH-DL-HOPRO-OHCAS:4043-87-2DL-HOMOPROLINEH-DL-PIC(2)-OHDL-Pipecolinic
piperidin-1-ium-2-carboxylateRefChem:863379DTXCID70810951208-616-3223-737-1DL-Pipecolinic acid4043-87-2pipecolate
Database identifiers
- CAS
3105-95-1、4043-87-2、535-75-1- PubChem CID
- 849
- DTXSID
DTXSID40862144- ChEMBL
CHEMBL308408- ChEBI
CHEBI:17964- UNII
- H254GW7PVV
- EC Number
- 208-616-3、223-737-1
- Nikkaji
- J1.592J
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
LogP-2.31
Solubility314 mg/mL
Melting Point264 °C
Physical DescriptionSolid
Collision Cross Section
128 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
129.3 Ų [M-H]-
Physicochemical properties
- Melting point
- 282 °C · 282 °C (dec.)(lit.)
- Boiling point
- 239.22 °C · 239.22°C (rough estimate)
- Density
- 1.1426 · 1.1426 (rough estimate)
- refractive index
- 1.43 · 1.4300 (estimate)
- storage temp.
- Store at RT.
- solubility
- Methanol (Slightly), Water (Slightly)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Tissue LocationsIntestine
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing Information2-Piperidinecarboxylic acid: INACTIVE
Applications
UsesPipecolic acid is involved in synaptic transmission in the central nervous system.
Upstream & downstream products
Downstream products
Related reactions
53 records
Compound notes
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