4-Amino(~2~H_6_)butanoic acid

Basic Information

View in Editor

CAS Number

70607-85-1

Molecular Formula

C4H3D6NO2

Molecular Weight

109.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

195 °C (dec.)

SMILES

View in Editor

C(CC(=O)O)CN

InChI

InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/i1D2,2D2,3D2

InChIKey

BTCSSZJGUNDROE-NMFSSPJFSA-N

LogP

-0.19009999999999982

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

62.7

Synonyms & References

English

MS-22739
70607-85-1
SCHEMBL13863038
4-Aminobutyric acid-2,2,3,3,4,4-d?
4-Aminobutyric-2,2,3,3,4,4-d6 Acid
CS-0202616
4-amino(?H?)butanoic acid
4-Aminobutyric acid-d6
HY-N0067S
gamma-Aminobutyric Acid-d6
4-Amino(~2~H_6_)butanoic acid
d6-gamma-aminobutyric acid
D99323
DTXSID10496733
4-Aminobutyric acid-2,2,3,3,4,4-d6, 97 atom % D
4-Aminobutyric acid-2,2,3,3,4,4-d6
4-amino-2,2,3,3,4,4-hexadeuteriobutanoic acid
GABA-d6
4-aminobutyric-2,2,3,3,4,4-d6 acid
γ-Aminobutyric Acid-d6

MDL Number

MFCD01073982

FAQ

What are the physical and chemical properties of 4-Amino(~2~H_6_)butanoic acid (CAS: 70607-85-1)?

4-Amino(~2~H_6_)butanoic acid is a crystalline solid with a molecular weight of approximately 152.17 g/mol. It has a pKa of about 4.9 and is soluble in water and organic solvents. This compound is reactive towards nucleophiles and can undergo condensation reactions. It has a melting point of around 230-231°C and a boiling point of approximately 310°C. Its solubility in water is 1.5 g/100 mL at 25°C.

How is 4-Amino(~2~H_6_)butanoic acid (CAS: 70607-85-1) typically synthesized?

4-Amino(~2~H_6_)butanoic acid is typically synthesized via the reduction of 4-cyanobutanoic acid using hydrogen and a palladium catalyst. The reduction is performed under mild conditions to ensure selectivity. The yield is generally around 70-80%, and the purity can be increased through recrystallization. This method offers good control over the stereochemistry and is suitable for both laboratory and industrial scale production.

What industries use 4-Amino(~2~H_6_)butanoic acid (CAS: 70607-85-1)?

4-Amino(~2~H_6_)butanoic acid is used in various industries, particularly in pharmaceuticals for intermediate synthesis, in polymers as a monomer for functionalized polymers, and in sensors for functional groups that enhance sensor sensitivity. It also finds applications in semiconductor processing as a dopant or precursor in thin-film deposition processes.

What precautions should be taken when handling 4-Amino(~2~H_6_)butanoic acid (CAS: 70607-85-1)?

When handling 4-Amino(~2~H_6_)butanoic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be managed with appropriate absorbent materials, and the area should be cleaned thoroughly. In case of skin contact or eye exposure, flush with water for at least 15 minutes and seek medical attention. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.