4-[(3-Pyridinylcarbonyl)amino]butanoic acid

Basic Information

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CAS Number

34562-97-5

Molecular Formula

C10H12N2O3

Molecular Weight

208.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

211.0 to 215.0 deg-C

Boiling Point

522.4 ºC at 760 mmHg

Flash Point

269.8 ºC

SMILES

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C1=CC(=CN=C1)C(=O)NCCCC(=O)O

InChI

InChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)

InChIKey

NAJVRARAUNYNDX-UHFFFAOYSA-N

LogP

0.6761999999999999

Topological Polar Surface Area

79.29 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

231

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

N0998
4-[(pyridin-3-yl)formamido]butanoic acid
PIKATROPIN
34562-97-5
UNII-0S5N9SEK4N
BCP19066
Butanoic acid, 4-[(3-pyridinylcarbonyl)amino]-
N-Nicotinoyl-GABA
SCHEMBL678984
NAJVRARAUNYNDX-UHFFFAOYSA-N
4-[(Pyridine-3-carbonyl)amino]butyric acid
BB 0258436
Nicotinoyl-GABA (sodium); Nicotinoyl--aminobutyric acid (sodium)
4-(pyridine-3-carbonylamino)butanoic acid;Pikamilone
PYCAMILON
NS00029684
MFCD00186518
Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-
N-nicotinoyl-gamma-aminobutyric acid
Nicotinoyl-GABA
CBKinase1_003003
4-(Nicotinamido)butanoic acid
s5363
4-(Nicotinamido)butyric Acid
Z235541930
CCG-266641
N-(3-Carboxypropyl)nicotinamide
0S5N9SEK4N
Nicotinoyl-GABA; Nicotinoyl-gamma-aminobutyric acid
Pikamilone (sodium)
A822275

MDL Number

MFCD00186518

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5)?

4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5) is a white crystalline solid with a molecular weight of approximately 239.17 g/mol. It is slightly soluble in water and ether. Chemically, it is moderately reactive and can participate in amide formation and esterification reactions. It has a pKa of about 7.5 and is stable under normal conditions.

How is 4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5) typically synthesized?

4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5) is typically synthesized via the condensation of 4-aminobutanoic acid with 3-pyridinecarboxylic acid. This can be achieved using coupling reagents such as EDC or HATU, with a good yield of up to 80%. The reaction is generally carried out in the presence of a base like triethylamine.

What industries use 4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5)?

4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5) is used in the pharmaceutical industry for drug synthesis, particularly in the development of certain bioactive compounds. It is also used in the chemical industry for the production of functional polymers and in the sensor industry for the development of chemical sensors.

What precautions should be taken when handling 4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5)?

When handling 4-[(3-Pyridinylcarbonyl)amino]butanoic acid (CAS: 34562-97-5), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood. Spills should be cleaned up carefully, using absorbent materials and disposing of the waste in an appropriate manner. Always consult the Material Safety Data Sheet (MSDS) or SDS for detailed safety information.