4-Piperidinecarboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
498-94-2- Standard SMILES
O=C(O)C1CCNCC1- InChIKey
SRJOCJYGOFTFLH-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Piperidinecarboxylic acid
- IUPAC
- piperidine-4-carboxylic acid
- English name
- Isonipecotic acid
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
Isonipecotic acidPiperidine-4-carboxylic acid498-94-24-Piperidinecarboxylic acid4-CarboxypiperidineHexahydroisonicotinic acidM5TZP1RWIENSC-61049DTXSID9060100RefChem:149589DTXCID1040744207-872-3
Show more names
Inp-OHPiperidin-4-carboxylic acidH-PIC(4)-OHh-dl-inp-ohIsonipecotic acisonipecotic acid
h-inp-ohMFCD00006004Isonicotinic acid, hexahydro-Acide isonipecotique4-Hexahydroisonicotinic aciddl-isopipecolinic acidNSC 61049Acide piperidine-carboxylique-4
Database identifiers
- CAS
498-94-2- PubChem CID
- 3773
- DTXSID
DTXSID9060100- ChEMBL
CHEMBL279998- UNII
- M5TZP1RWIE
- EC Number
- 207-872-3
- Nikkaji
- J6.113A
Properties
Computed structural propertiesFilling in
- XLogP
- -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
- 108
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Boiling point
- 239.22 °C · 239.22°C (rough estimate)
- Density
- 1.1426 · 1.1426 (rough estimate)
- refractive index
- 1.4587 · 1.4587 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Water
- form
- Powder
- pka
- 1 · pK1:3.73(+1);pK2:10.72(0) (25°C)
- color
- White to faint pink-beige
- Water Solubility
- soluble
- Merck
- 14 · 14,5189
- BRN
- 112553 · 112553
- InChI
- InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
- InChIKey
- SRJOCJYGOFTFLH-UHFFFAOYSA-N
- SMILES
- N1CCC(C(O)=O)CC1
- CAS DataBase Reference
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
This chemical does not meet GHS hazard criteria for 1.3% (1 of 79) of reports.
Warning
H315 (98.7%): 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 79 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 18-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20353
4-Piperidinecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NS5150000
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Piperidinecarboxylic acid: ACTIVE
Applications
UsesA GABA-A receptor partial agonist
Upstream & downstream products
Downstream products
Related reactions
260 records
Compound notes
Loading…