3-Amino-2-benzylpropanoic acid

Basic Information

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CAS Number

95598-13-3

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

327.3 ℃ at 760 mmHg

SMILES

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C1=CC=C(C=C1)CC(CN)C(=O)O

InChI

InChI=1S/C10H13NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

InChIKey

DJYVEBBGKNAHKE-UHFFFAOYSA-N

LogP

0.8885999999999998

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

164

Synonyms & References

English

2-(aminomethyl)-3-phenylpropanoic acid
SCHEMBL558159
2-(Aminomethyl)-3-phenylpropionicAcid
AB34723
AB34725
2-AMINOMETHYL-3-PHENYL-PROPIONIc acid
DTXSID90298934
EN300-84867
AB09206
AS-31234
AKOS009269475
95598-13-3
3-amino-2-benzylpropanoic acid
DJYVEBBGKNAHKE-UHFFFAOYSA-N
FT-0763101
NSC127007
VDA59813
SY005517
Oprea1_876232
3-amino-2-(phenylmethyl)propanoic acid
2-Aminomethyl-3-phenylpropionic acid
3-AMINO-2-BENZYLPROPIONIC ACID
2-(Aminomethyl)-3-phenylpropionic Acid
NSC-127007
MFCD01549677
3-Amino-2-benzylpropanoic acid
2-(AMINOMETHYL)-3-PHENYLPROPIONIC ACID
2-(aminomethyl)Benzenepropanoic acid
2-AMINOMETHYL-3-PHENYL-PROPIONIC ACID
a-(Aminomethyl)-benzenepropanoic acid
AK100966

MDL Number

MFCD01549677

Customs Code

2922499990

FAQ

What regulatory guidelines apply to 3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3)?

3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3) is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is classified as a category 1 skin corrosive. In the European Union, it falls under REACH regulations, requiring manufacturers and importers to register the substance if produced or imported at or above 1 tonne per year. Additionally, FDA regulations may apply for its use in pharmaceuticals, and EPA guidelines for environmental protection and handling should be followed.

Are there alternatives to 3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3) in synthesis?

Several alternatives to 3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3) can be used in synthesis, depending on the specific application. Common alternatives include other aromatic amino acids and their derivatives, which can offer similar functional groups for different reactions. For instance, 2-Amino-3-benzylbutyric acid and 3-Amino-2-benzyl-2-methylpropanoic acid are viable alternatives, providing similar chemical functionalities and reactivity profiles.

What is the market or research trend for 3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3)?

The market for 3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3) is primarily driven by its use in pharmaceuticals and as a research tool. Recent research trends focus on its application in drug discovery, particularly as a potential lead compound for developing new therapeutic agents. The market is expected to grow as researchers explore its biological activities and develop novel derivatives with improved properties. Price trends are influenced by supply and demand, with increasing demand in the pharmaceutical sector driving higher prices.

How should waste containing 3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3) be handled?

Waste containing 3-Amino-2-benzylpropanoic acid (CAS: 95598-13-3) should be handled according to environmental protection regulations. Collect waste liquids in appropriate containers and ensure they are properly labeled. For solid waste, it can be incinerated in a licensed facility or disposed of through professional waste disposal services. Always follow local hazardous waste disposal regulations to prevent environmental contamination. Proper waste management is crucial for maintaining safety and complying with legal requirements.