Isonipecotic acid

CAS Number: 498-94-2

Molecular Formula: C6H11NO2

GABA<sub>A</sub> receptor partial agonistPiperidine DerivativesFDA UNII: M5TZP1RWIESubstituted piperidine ringHeterocyclic CompoundISO 9001 Plant Isonipecotic acid

About Isonipecotic acid

Isonipecotic Acid or Hexahydroisonicotinic acid is a saturated heterocyclic compound featuring a piperidine ring with a carboxylic acid substituent at the 4-position. Isonipecotic Acid is also called as 4-Piperidinecarboxylic acid as it functions as a partial agonist at GABAA receptors, making it valuable in neurologic...

Isonipecotic acid Specifications

CAS Number

498-94-2

Molecular Formula

C6H11NO2

IUPAC Name

piperidine-4-carboxylic acid

Canonical SMILES

C1CNCCC1C(=O)O

InChI Key

SRJOCJYGOFTFLH-UHFFFAOYSA-N

InChI

1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)

PubChem CID

3773

UNII Code

M5TZP1RWIE

EINECS Number

207-872-3

MDL Number

MFCD00006004

CAS Number

498-94-2

Molecular Formula

C6H11NO2

IUPAC Name

piperidine-4-carboxylic acid

Canonical SMILES

C1CNCCC1C(=O)O

InChI Key

SRJOCJYGOFTFLH-UHFFFAOYSA-N

InChI

1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)

PubChem CID

3773

UNII Code

M5TZP1RWIE

EINECS Number

207-872-3

MDL Number

MFCD00006004

Appearance

White to Off White crystalline powder

Loss on Drying

0.32%

Assay (Perchloric acid titration)

99.61%

LogP

-0.08

Flash Point

~114.5 °C

Refractive Index

~1.4587 (estimated)

pKa

3.73 (carboxylic acid), 10.72 (piperidine nitrogen)

GHS Classification

Warning

(H) Statements

H315: Causes skin irritation H319: Causes serious eye irritation H335: May cause respiratory irritation

(P) Statements

P261: Avoid breathing dust/fume/gas/mist/vapors/spray P280: Wear protective gloves/protective clothing/eye protection/face protection P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes

RTECS Number

NS5150000

WGK Germany

3 (Water hazard class)

Pharmaceutical Intermediates

Building block for synthesis of HDAC inhibitors and other piperidine derivatives.

Neuroscience Research

Utilized as a GABA<sub>A</sub> receptor partial agonist in studies of neurological function.

Chemical Synthesis

Precursor in the production of various heterocyclic compounds (heterocyclic building block)

Additional Feature

*High Purity: Available in purities ≥99%, suitable for research and pharmaceutical synthesis. *Versatility: Applicable in multiple synthetic pathways due to its functional groups.