(3S)-3-Amino-3-phenylpropanoic acid

Basic Information

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CAS Number

40856-44-8

Molecular Formula

C9H11NO2

Molecular Weight

165.19 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

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

307.5°C at 760 mmHg

Flash Point

139.8℃

SMILES

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

InChI

InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

InChIKey

UJOYFRCOTPUKAK-QMMMGPOBSA-N

LogP

1.1611

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

153

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

(betaS)-beta-Aminobenzenepropanoic acid
GZ5N3GS3WH
Cambridge id 5100473
L-beta-Phe-OH
D-beta-Phenylalanine
s-beta-phenylalanine
(s)-3-amino-3-phenylpropanoic acid
Oprea1_051046
UJOYFRCOTPUKAK-QMMMGPOBSA-N
AS-19757
40856-44-8
(s)-beta-phenylalanine
A6811
(S)-3-Amino-3-phenylpropionicacid
SFE
AKOS015853928
(s)-3-amino-3-phenyl-propionic acid
(s)-3-amino-3-phenylpropionic acid
Q27136994
AKOS010394728
(3S)-3-azanyl-3-phenyl-propanoic acid
CS-W002743
MFCD01076238
CHEBI:68525
SCHEMBL123765
A825324
Z756925772
C20488
Benzenepropanoic acid, beta-amino-, (betaS)-
(S)-3-amino-3-phenylpropanoate
AMY14871

MDL Number

MFCD01076238

Customs Code

2922499990

FAQ

What is (3S)-3-Amino-3-phenylpropanoic acid (CAS: 40856-44-8)?

(3S)-3-Amino-3-phenylpropanoic acid, with the CAS number 40856-44-8, is a chiral amino acid derivative. Its chemical formula is C9H13NO2. It is characterized by a phenyl ring attached to a central carbon, which is also bonded to an amino group and a carboxylic acid group. This compound is known for its specific stereochemistry and is often used in organic synthesis and pharmaceutical research due to its structural versatility.

What are the main uses of (3S)-3-Amino-3-phenylpropanoic acid (CAS: 40856-44-8)?

(3S)-3-Amino-3-phenylpropanoic acid (CAS: 40856-44-8) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, particularly in the creation of chiral compounds. In the food industry, it may be used as a flavor enhancer, and in research settings, it serves as a valuable intermediate for various chemical processes.

Is (3S)-3-Amino-3-phenylpropanoic acid (CAS: 40856-44-8) safe?

(3S)-3-Amino-3-phenylpropanoic acid (CAS: 40856-44-8) is generally considered safe when handled properly. However, as with many chemical compounds, it should be treated with caution. It is advisable to use appropriate personal protective equipment (PPE) such as gloves and goggles. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines to ensure compliance with safety standards.

How should (3S)-3-Amino-3-phenylpropanoic acid (CAS: 40856-44-8) be stored?

(3S)-3-Amino-3-phenylpropanoic acid (CAS: 40856-44-8) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container to prevent moisture absorption. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life. Always store away from incompatible materials to avoid chemical interactions.