(3S)-3-Ammonio-3-(2-methylphenyl)propanoate

Basic Information

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CAS Number

736131-48-9

Molecular Formula

C10H13NO2

Molecular Weight

179.22 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

Boiling Point

326.3℃ at 760 mmHg

SMILES

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CC1=CC=CC=C1C(CC(=O)O)N

InChI

InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1

InChIKey

GORGZFRGYDIRJA-VIFPVBQESA-N

LogP

1.4695200000000002

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

182

Synonyms & References

English

(S)-3-Amino-3-(2-methylphenyl)propanoic acid
(S)-3-Amino-3-(2-methylphenyl)propionicacid
3-(S)-amino-3-o-tolyl-propionic acid
H-D-Phg(2-Me)-(C#CH2)OH
MFCD04113679
FS-3155
(S)-3-Amino-3-(2-methyl-phenyl)-propionic acid
EN300-146256
736131-48-9
(S)-3-Amino-3-(2-methylphenyl)propionic acid
AC-22041
L-3-Amino-3-(2-methylphenyl)-propionic acid
A866061
(S)-3-AMINO-3-O-TOLYL-PROPIONIC ACID
CS-0152981
GORGZFRGYDIRJA-VIFPVBQESA-N
(S)-3-Amino-3-(2-methyl-phenyl)propionic acid
(S)-3-amino-3-(o-tolyl)propanoic acid
AKOS015853896
SCHEMBL2320833
DS-1111
DTXSID70426157
(3S)-3-amino-3-(2-methylphenyl)propanoic acid
(S)-3-Amino-3-(2-methylphenyl)-propionic acid
(S)-3-Amino-3-(2-methylphenyl)propionic scid
(S)-3-amino-3-o-tolylpropanoic acid
Benzenepropanoic acid, b-amino-2-methyl-, (bS)-
(S)-3-amino-3-o-tolylpropionic acid
(S)-3-Amino-3-(2-Methyl-Phenyl)-Propionic Acid
(R)-3-Amino-3-(2-methylphenyl)-propionic acid
AB17794

MDL Number

MFCD04113679

Customs Code

2922499990

FAQ

What regulatory guidelines apply to (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9)?

The compound (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous chemical classification. It falls under REACH regulations in Europe, requiring suppliers to register the substance if manufactured or imported in quantities exceeding 1 tonne per year. FDA and EPA have specific requirements for handling and reporting of specific chemicals, which may include this compound depending on its intended use.

Are there alternatives to (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9) in synthesis?

Several alternatives can be used in the synthesis of (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9). For instance, 2-methylbenzaldehyde and ammonia can be used as starting materials instead of the direct synthesis route. Additionally, isomers such as the (3R)-enantiomer can be explored depending on the desired application. Other common reagents include 2-methylbenzylamine and ammonium salts.

What is the market or research trend for (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9)?

The market for (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9) is driven by its application in drug discovery, particularly in the development of pharmaceuticals targeting specific receptors. Research trends indicate an increasing focus on understanding its biological activity and exploring its potential in treating various diseases. Market demand is expected to grow as more studies validate its efficacy and safety.

How should waste containing (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9) be handled?

Waste containing (3S)-3-Ammonio-3-(2-methylphenyl)propanoate (CAS: 736131-48-9) should be collected in appropriate containers and stored in a cool, well-ventilated area. For disposal, incineration is a common method, but professional waste disposal services are recommended to ensure compliance with local regulations. Environmental protection measures should include proper handling to prevent spillage and the use of personal protective equipment (PPE) during waste management activities.