2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1)

Basic Information

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CAS Number

57469-77-9

Molecular Formula

C19H32N2O4

Molecular Weight

352.48 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

319.6°C at 760 mmHg

SMILES

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CC(C)Cc1ccc(cc1)C(C)C(=O)O.C(CCN)C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

InChIKey

IHHXIUAEPKVVII-ZSCHJXSPSA-N

LogP

2.6005

Topological Polar Surface Area

126.63999999999999 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

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

Ibuprofen lysine
L-Lysine mono[4-isobutyl-alpha-methylbenzeneacetate]
(2S)-2,6-diaminohexanoic acid,2-[4-(2-methylpropyl)phenyl]propanoic acid
Ibuprofen Lysinate
Ibuprofen lysine (USAN)
NeoProfen
Neoprofen (TN)
LH-730
Ibuprofen L-Lysine

MDL Number

MFCD01716155

FAQ

What regulatory guidelines apply to 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9)?

The compound 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9) should comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and the FDA/EPA requirements for food contact substances and biocides. Manufacturers and importers must ensure that the compound is properly labeled and that the safety data sheet (SDS) is available for distribution and use.

Are there alternatives to 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9) in synthesis?

Alternatives to 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9) in synthesis include other amino acid derivatives or isomers, such as 2-(4-isopropylphenyl)propanoic acid - L-lysine (1:1), which can serve similar functional roles depending on the specific application. Common alternative reagents include various carboxylic acids, amino acids, and their derivatives.

What is the market or research trend for 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9)?

The market for 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9) is growing due to its applications in pharmaceuticals, agrochemicals, and biotech research. Recent research trends focus on its potential as a bioactive compound and its role in protein engineering. Demand is also influenced by price trends, with a steady increase observed in the market. Researchers are exploring its use in developing new drugs and improving the efficiency of biocatalytic processes.

How should waste containing 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9) be handled?

Waste containing 2-(4-Isobutylphenyl)propanoic acid - L-lysine (1:1) (CAS: 57469-77-9) should be collected in appropriate containers and stored separately to prevent contamination. Incineration or professional waste disposal services are recommended for safe disposal, ensuring compliance with environmental protection regulations. Precautions include the use of personal protective equipment (PPE) and adherence to local waste management guidelines.