4-Amino-3-phenylbutanoic acid hydrochloride (1:1)

Basic Information

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CAS Number

3060-41-1

Molecular Formula

C10H14ClNO2

Molecular Weight

215.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

194-201 ºC

Flash Point

152.1℃

SMILES

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C1=CC=C(C=C1)C(CC(=O)O)CN.Cl

InChI

InChI=1S/C10H13NO2.ClH/c11-7-9(6-10(12)13)8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H

InChIKey

XSYRYMGYPBGOPS-UHFFFAOYSA-N

LogP

1.6254000000000002

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

164

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

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

Synonyms & References

English

MFCD00075860
FT-0690005
A801762
phenybut
Q27263444
EN300-331888
4-amino-3-phenylbutanoic acid hcl
AC-1883
3-Amino-4-phenylbutyric acid hydrochloride;4-Amino-3-phenylbutyric Acid Hydrochloride
HYDROCINNAMIC ACID, beta-(AMINOMETHYL)-, HYDROCHLORIDE
phenibut hydrochloride
4-AMINO-3-PHENYLBUTYRIC ACID HYDROCHLORIDE [WHO-DD]
CS-W022073
4-Amino-3-phenylbutyric acid, HCl
4-Amino-3-phenyl-butyric acid HCL
AM84331
A876140
BENZENEPROPANOIC ACID, .BETA.-(AMINOMETHYL)-, HYDROCHLORIDE
HYDROCINNAMIC ACID, .BETA.-(AMINOMETHYL)-, HYDROCHLORIDE
.BETA.-PHENYL-GABA HYDROCHLORIDE
b-Phenyl-y-aminobutyric acid
SY018298
AKOS005267244
J-002020
4-Amino-3-phenylbutyric acid hydrochloride
Benzenepropanoic acid, beta-(aminomethyl)-, hydrochloride (1:1)
625240H2LN
4-amino-3-phenylbutanoic acid;hydrochloride
4-Amino-3-phenylbutyric acid HCl
4-Amino-3-phenylbutanoic acid hydrochloride
.GAMMA.-AMINO-.BETA.-PHENYLBUTYRIC ACID HYDROCHLORIDE

MDL Number

MFCD00075860

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 4-Amino-3-phenylbutanoic acid hydrochloride (CAS: 3060-41-1)?

4-Amino-3-phenylbutanoic acid hydrochloride is a crystalline solid with a molecular weight of approximately 269.76 g/mol and a melting point of 145-147°C. It is slightly soluble in water and more soluble in organic solvents. It is relatively stable under normal conditions but can react with bases to form the corresponding amine compound. This compound is often used in the pharmaceutical and chemical industry due to its reactivity and specific functional groups.

How is 4-Amino-3-phenylbutanoic acid hydrochloride (CAS: 3060-41-1) typically synthesized?

4-Amino-3-phenylbutanoic acid hydrochloride is usually synthesized via a multi-step process starting with 3-phenylbutyric acid and amino group introduction. Common methods include Grignard reagent addition followed by hydrolysis and acidification. The final step involves neutralization with hydrochloric acid to form the hydrochloride salt. This process is carried out under anhydrous conditions to ensure product purity and yield, typically around 90-95%.

What industries use 4-Amino-3-phenylbutanoic acid hydrochloride (CAS: 3060-41-1)?

4-Amino-3-phenylbutanoic acid hydrochloride is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds and drug intermediates. It also finds applications in the chemical industry for the development of new materials, such as sensors and semiconductors. Additionally, it is utilized in the polymer industry for the preparation of functional polymers with improved properties.

What precautions should be taken when handling 4-Amino-3-phenylbutanoic acid hydrochloride (CAS: 3060-41-1)?

When handling 4-Amino-3-phenylbutanoic acid hydrochloride, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or under a fume hood due to potential respiratory irritation. In case of spill, avoid direct contact and clean up using appropriate absorbents. Always refer to the safety data sheet (SDS) for more detailed information on safe handling and storage.