3-(4-Pyridinyl)alanine

Basic Information

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CAS Number

1956-21-4

Molecular Formula

C8H10N2O2

Molecular Weight

166.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

234-235 ºC

Boiling Point

346.4 °C at 760 mmHg

Flash Point

346.4 °C at 760 mmHg

Refractive Index

1.581

SMILES

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C1=CN=CC=C1CC(C(=O)O)N

InChI

InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)

InChIKey

FQFVANSXYKWQOT-UHFFFAOYSA-N

LogP

0.03600000000000009

Topological Polar Surface Area

76.21 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

155

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Pyridinealanine, DL-
SCHEMBL122532
4-PYRIDINEPROPANOIC ACID, .ALPHA.-AMINO-
2-AMINO-3-(PYRIDIN-4-YL)PROPANOIC ACID
EN300-148181
AB21677
3-(4-Pyridyl)-dl-alanine
BAA95621
AKOS016843222
AY9J934TFO
UNII-AY9J934TFO
NoName_3085
.BETA.-(4-PYRIDYL)-DL-ALANINE
2-AMINO-3-PYRIDIN-4-YL-PROPIONIC ACID
1956-21-4
4-Pyridylalanine, DL-
AS-35682
FT-0692262
4-Pyridinepropanoic acid, alpha-amino-
AKOS000175093
3-[(CYCLOPROPYLAMINO)SULFONYL]THIOPHENE-2-CARBOXYLICACID
beta-(4-Pyridyl)-DL-alanine
FT-0639383
FT-0639384
2-amino-3-pyridin-4-ylpropanoic acid
MFCD05228021
DTXSID30902563
4-ANDROSTEN-6-ALPHA,17-BETA-DIOL-3-ONE
CS-0038773
4-PYRIDINEALANINE
2-Amino-3-(pyridin-4-yl)propanoic acid

MDL Number

MFCD05228021

FAQ

What are the physical and chemical properties of 3-(4-Pyridinyl)alanine (CAS: 1956-21-4)?

3-(4-Pyridinyl)alanine (CAS: 1956-21-4) is a crystalline compound with a molecular weight of approximately 176.18 g/mol. It has a solubility in water of 0.7 g/L at 25°C. Chemically, it is moderately reactive, particularly in nucleophilic substitution reactions. This compound is often used in pharmaceutical research due to its unique structure.

How is 3-(4-Pyridinyl)alanine (CAS: 1956-21-4) typically synthesized?

3-(4-Pyridinyl)alanine is typically synthesized by the condensation of pyridine-4-carboxylic acid with alanine. This process is catalyzed by DCC (dicyclohexylcarbodiimide) and can yield up to 80% of the product. The reaction is carried out in the presence of a suitable solvent like dichloromethane.

What industries use 3-(4-Pyridinyl)alanine (CAS: 1956-21-4)?

3-(4-Pyridinyl)alanine (CAS: 1956-21-4) is primarily used in the pharmaceutical industry as a precursor for drug development. It also finds applications in the production of polymers with unique properties and as a building block in sensor technology. Additionally, it is used in semiconductor research for its electronic properties.

What precautions should be taken when handling 3-(4-Pyridinyl)alanine (CAS: 1956-21-4)?

When handling 3-(4-Pyridinyl)alanine (CAS: 1956-21-4), laboratory personnel should wear appropriate personal protective equipment (PPE) including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled in a fume hood to minimize inhalation risks. Always refer to the safety data sheet (SDS) for detailed information on handling and disposal.