N-Acetyl-ß-alanine

Basic Information

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CAS Number

3025-95-4

Molecular Formula

C5H9NO3

Molecular Weight

131.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

79.0 to 83.0 deg-C

Boiling Point

392°Cat760mmHg

Flash Point

190.9°C

Refractive Index

1.456

SMILES

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CC(=O)NCCC(=O)O

InChI

InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)

InChIKey

LJLLAWRMBZNPMO-UHFFFAOYSA-N

LogP

-0.4028000000000003

Topological Polar Surface Area

66.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

121

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

N-Acetyl-beta-alanine
Ac-
N-Acetyl-A-alanine
NWH65K85HP
3-(acetylamino)Propanoate
NSC 32039
SY025089
N-ACETYL-3-AMINOPROPANOIC ACID
N-Acetyl-b-alanine
Ac-ss-Ala-OH
3-Acetamidopropionic acid
3025-95-4
A24030
J-017845
Ac-beta-Ala-OH, AldrichCPR
Ac-beta-Ala-OH
MFCD00037296
SCHEMBL48517
N-Acetyl- beta -alanine
FT-0634609
CS-0005652
acetyl-beta-alanine
CHEBI:16682
N-Acetyl-fA-alanine
EINECS 221-185-6
3-(acetylamino)propanoic acid
Z56886421
NSC-32039
NS00028886
HMS1782F06
A-Ala-OH

MDL Number

MFCD00037296

Customs Code

2924199090

FAQ

What are the physical and chemical properties of N-Acetyl-ß-alanine (CAS: 3025-95-4)?

N-Acetyl-ß-alanine (CAS: 3025-95-4) is a white to off-white crystalline solid with a molecular weight of approximately 170.24 g/mol. It is moderately soluble in water and has limited solubility in organic solvents. Chemically, it is known for its reactivity with bases and its stability in acidic environments. It also exhibits good thermal stability and is often used in biochemical studies and as a precursor in the synthesis of other compounds.

How is N-Acetyl-ß-alanine (CAS: 3025-95-4) typically synthesized?

N-Acetyl-ß-alanine (CAS: 3025-95-4) is typically synthesized through the acetylation of β-alanine using acetic anhydride in the presence of an acid catalyst, such as sulfuric acid. The reaction is carried out at elevated temperatures, and the product is isolated by recrystallization. This method provides good yield and selectivity, making it a common approach in the laboratory and industrial settings.

What industries use N-Acetyl-ß-alanine (CAS: 3025-95-4)?

N-Acetyl-ß-alanine (CAS: 3025-95-4) is widely used in the pharmaceutical industry for its role as a precursor in the synthesis of certain drugs and in the development of therapeutic agents. It is also utilized in the polymer industry for modifying properties of polymers and in the semiconductor industry for its use in the fabrication of sensors and other electronic components.

What precautions should be taken when handling N-Acetyl-ß-alanine (CAS: 3025-95-4)?

When handling N-Acetyl-ß-alanine (CAS: 3025-95-4), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be carried out in a well-ventilated area or a fume hood to minimize inhalation. Spills should be cleaned up using appropriate methods, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for detailed safety information. Storage should be in a cool, dry place away from direct sunlight and heat sources.