Methyl 4-(4-aminophenyl)butanoate hydrochloride

Basic Information

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CAS Number

91246-75-2

Molecular Formula

C11H16ClNO2

Molecular Weight

229.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)CCCC1=CC=C(C=C1)N.Cl

InChI

InChI=1S/C11H15NO2.ClH/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9;/h5-8H,2-4,12H2,1H3;1H

InChIKey

OFKANAADLNCVPH-UHFFFAOYSA-N

LogP

2.1862999999999997

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

174

Synonyms & References

English

Methyl 4-(4-aminophenyl)butanoate hydrochloride
methyl 4-(4-aminophenyl)butanoate hydrochloride
methyl 4-(4-aminophenyl)butyrate hydrogen chloride
SB80463
methyl 4-(4-aminophenyl)butanoate;hydrochloride
methyl4-(4-aminophenyl)butanoatehydrochloride
OFKANAADLNCVPH-UHFFFAOYSA-N
91246-75-2
DB-158528
AKOS024462502
SCHEMBL1789073

MDL Number

MFCD28125574

FAQ

What is Methyl 4-(4-aminophenyl)butanoate hydrochloride (CAS: 91246-75-2)?

Methyl 4-(4-aminophenyl)butanoate hydrochloride is a derivative of methyl butanoate with an aminophenyl group and hydrochloride salt. It is a white to off-white crystalline powder with a molecular formula of C12H19NO2.HCl. This compound is known for its pleasant odor and is used in various applications including pharmaceuticals, perfumes, and flavorings.

What are the main uses of Methyl 4-(4-aminophenyl)butanoate hydrochloride (CAS: 91246-75-2)?

Methyl 4-(4-aminophenyl)butanoate hydrochloride is primarily used as a fragrance compound in the perfume and flavor industry. It is also used as a raw material in pharmaceutical formulations, particularly in creating synthetic drugs. Additionally, it is employed in the food industry as a flavoring agent.

Is Methyl 4-(4-aminophenyl)butanoate hydrochloride (CAS: 91246-75-2) safe?

Methyl 4-(4-aminophenyl)butanoate hydrochloride is generally considered safe for use in the fragrance, food, and pharmaceutical industries. However, it is important to adhere to safety guidelines, such as handling in a well-ventilated area, wearing appropriate personal protective equipment, and avoiding contact with eyes and skin. Proper storage and disposal should also be followed to ensure safety.

How should Methyl 4-(4-aminophenyl)butanoate hydrochloride (CAS: 91246-75-2) be stored?

Methyl 4-(4-aminophenyl)butanoate hydrochloride should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and contamination. The storage temperature should not exceed 25°C, and the relative humidity should be maintained below 60% to ensure the stability of the compound.