(3S)-3-Amino-3-(4-chlorophenyl)propanoic acid

Basic Information

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CAS Number

131690-60-3

Molecular Formula

C9H10ClNO2

Molecular Weight

199.64 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

Physical State

White to Yellow Solid

Boiling Point

345.8 ºC at 760 mmHg

Flash Point

162.9 ºC

Refractive Index

1.588

SMILES

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C1=CC(=CC=C1C(CC(=O)O)N)Cl

InChI

InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

InChIKey

BXGDBHAMTMMNTO-QMMMGPOBSA-N

LogP

1.8145

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

179

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

EN300-1070133
AC-6663
(s)-b-(p-chlorophenyl)-b-alanine
(S)-beta-(p-Chlorophenyl)alanine
AKOS015853988
(s)-3-amino-3-(4-chlorophenyl)propanoicacid
(s)-3-(p-chlorophenyl)-beta-alanine
s-3-amino-3-(4-chloro-phenyl)-propionic acid
CS-0031370
(S)-3-amino-3-(4-chlorophenyl)propanoic acid;(S)-3-(P-CHLOROPHENYL)-BETA-ALANINE
SCHEMBL390335
(s)-4-chloro-beta-phenylalanine
Benzenepropanoic acid, beta-amino-4-chloro-, (betaS)-
h-beta-phe(4-cl)-oh
AKOS010394515
DTXSID70350620
(s)-3-amino-3-(4-chlorophenyl)propanoic acid
DS-1174
(S)-3-Amino-3-(4-chloro-phenyl)-propionic acid
MFCD03840457
(s)-3-amino-3-(4-chloro-phenyl)propionic acid
(s)-3-amino-3-(4-chlorophenyl)propionic acid
(S)-beta-amino-beta-(4-chlorophenyl)propionic acid
h-d-phg(4-cl)-(c*ch2)oh
(s)-3-amino-3-(4-chloro-phenyl)-propanoic acid
BXGDBHAMTMMNTO-QMMMGPOBSA-N
BCP9000032
(3S)-3-amino-3-(4-chlorophenyl)propanoic acid
131690-60-3
AM85557
H-D-Phg(4-Cl)-(C#CH2)OH

MDL Number

MFCD03840457

Customs Code

2922499990

FAQ

What is (3S)-3-Amino-3-(4-chlorophenyl)propanoic acid (CAS: 131690-60-3)?

(3S)-3-Amino-3-(4-chlorophenyl)propanoic acid, also known as 4-(3-Amino-3-(4-chlorophenyl)propyl)benzoic acid, is an organic compound with the CAS number 131690-60-3. It is a white crystalline solid with the molecular formula C10H12ClNO2. This compound is soluble in water and ethanol. It is commonly used in pharmaceuticals and research applications due to its unique chemical structure.

What are the main uses of (3S)-3-Amino-3-(4-chlorophenyl)propanoic acid (CAS: 131690-60-3)?

(3S)-3-Amino-3-(4-chlorophenyl)propanoic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It has also found applications in research for its biological activity and as an intermediate in organic synthesis. Additionally, it can be used in the development of new chemical entities with potential therapeutic benefits.

Is (3S)-3-Amino-3-(4-chlorophenyl)propanoic acid (CAS: 131690-60-3) safe?

(3S)-3-Amino-3-(4-chlorophenyl)propanoic acid is generally considered safe under appropriate handling conditions. However, it is an irritant and may cause skin and eye irritation. Proper personal protective equipment, such as gloves and safety goggles, should be worn when handling this compound. It is important to follow all safety guidelines and storage recommendations to minimize potential hazards.

How should (3S)-3-Amino-3-(4-chlorophenyl)propanoic acid (CAS: 131690-60-3) be stored?

(3S)-3-Amino-3-(4-chlorophenyl)propanoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture absorption. Ideally, storage temperatures should be maintained below 25°C (77°F) to ensure stability and safety. Avoid contact with incompatible materials such as strong oxidizers or bases.