(S)-2-(Phenylmethylsulfonamido)Propanoic Acid

Basic Information

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CAS Number

99076-56-9

Molecular Formula

C10H13NO4S

Molecular Weight

243.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

164-165 ºC (water )

Density

1.350±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C10H13NO4S/c1-8(10(12)13)11-16(14,15)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m0/s1

InChIKey

CZIBABWRWDOXIT-QMMMGPOBSA-N

LogP

0.5790999999999995

Topological Polar Surface Area

83.47 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

327

Synonyms & References

English

(Benzylsulfonyl)-L-alanine
AKOS010366243
(2S)-2-((Benzylsulfonyl)amino)propanoic acid
DTXSID70450159
(2S)-2-(benzylsulfonylamino)propanoic acid
SCHEMBL7475872
99076-56-9
N-Tosyl-l-alanine
Tos-Ala-OH
Tos-L-Ala-OH
Tosyl-L-alanine
(2S)-2-[(Benzylsulfonyl)amino]propanoic acid

MDL Number

MFCD02259513

Customs Code

2935009090

FAQ

What is (S)-2-(Phenylmethylsulfonamido)Propanoic Acid (CAS: 99076-56-9)?

(S)-2-(Phenylmethylsulfonamido)Propanoic Acid is a chiral compound with the structural formula C9H11NO3S. It is characterized by its unique sulfur-containing group attached to a propanoic acid moiety. This compound exhibits acidic properties and is used in various chemical syntheses and research applications.

What are the main uses of (S)-2-(Phenylmethylsulfonamido)Propanoic Acid (CAS: 99076-56-9)?

(S)-2-(Phenylmethylsulfonamido)Propanoic Acid is primarily used in pharmaceutical research for synthesizing intermediates and drug candidates. It is also employed in the industrial sector for the production of certain chemical compounds and in food science for its potential applications in food additives and flavorings.

Is (S)-2-(Phenylmethylsulfonamido)Propanoic Acid (CAS: 99076-56-9) safe?

The safety of (S)-2-(Phenylmethylsulfonamido)Propanoic Acid depends on the context of use. It is generally safe when handled with appropriate precautions. Users should wear personal protective equipment such as gloves and goggles. It should be stored in a cool, dry place away from direct sunlight and flammable materials. Proper ventilation is recommended during handling.

How should (S)-2-(Phenylmethylsulfonamido)Propanoic Acid (CAS: 99076-56-9) be stored?

(S)-2-(Phenylmethylsulfonamido)Propanoic Acid should be stored in a tightly sealed container at a temperature below 25°C and away from direct sunlight. The storage area should be well-ventilated and away from sources of heat and ignition. It should be kept in a cool, dry place and handled with care to avoid contact with skin and eyes. Proper labeling of containers is essential for safety.