4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid

Basic Information

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CAS Number

42075-29-6

Molecular Formula

C11H13NO3

Molecular Weight

207.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C11H13NO3/c1-7(6-10(13)14)11(15)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,14)

InChIKey

LTGZRJJFPDCBAO-UHFFFAOYSA-N

LogP

1.5622999999999998

Topological Polar Surface Area

80.39 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

244

Synonyms & References

English

DS-4171
42075-29-6
4-(4-aminophenyl)-3-methyl-4-oxo-butanoic Acid
MFCD09743855
4-(4-Aminophenyl)-3-methyl-4-oxobutanoicacid
3-(p-Aminobenzoyl)butyric Acid
AKOS015891294
SB77425
4-(4-AMINOPHENYL)-3-METHYL-4-OXOBUTANOIC ACID
A825750
DTXSID80450084
CS-0154072
SCHEMBL8381804
4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid
3-(4-Aminobenzoyl)butyric acid
4-(4-AMINOPHENYL)-3-METHYL-4-OXOBUTANOIC ACID]
4-(4-Aminophenyl)-3-methyl-4-oxobutyric acid
AK109200
EBD21599
5796AB
AX8020765
ST24042920
Benzenebutanoic acid,4-amino-b-methyl-g-oxo-
075A296
4-(4-aminophenyl)-3-methyl-4-oxidanylidene-butanoic acid

MDL Number

MFCD09743855

Customs Code

2924299090

FAQ

What is 4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid (CAS: 42075-29-6)?

4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid, also known as L-Phenylalanine methyl ester oxime, is a chemical compound with the CAS number 42075-29-6. It is a white or off-white solid with a molecular formula of C11H14N2O3. This compound is characterized by its ability to form salts and esters, and it has a pKa of approximately 4.4.

What are the main uses of 4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid (CAS: 42075-29-6)?

4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also utilized in the production of amino acid derivatives, in research for biological and medicinal applications, and in some food additives as a flavor enhancer or preservative.

Is 4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid (CAS: 42075-29-6) safe?

4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines, including wearing appropriate personal protective equipment, such as gloves and goggles. It should be stored in a cool, dry place and away from direct sunlight and heat sources to prevent degradation.

How should 4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid (CAS: 42075-29-6) be stored?

4-(4-Aminophenyl)-3-methyl-4-oxobutanoic acid should be stored in a cool, dry place to maintain its stability. Store the compound in a tightly sealed container to prevent moisture absorption. It should be kept away from direct sunlight and heat sources. Avoid contact with oxidizing agents or strong acids, and ensure proper ventilation in the storage area.