structure of 3-Amino-3-(naphthalen-1-yl)propanoic acid

3-Amino-3-(naphthalen-1-yl)propanoic acid

CAS No.: 100393-41-7
M. Wt: 215.24800
M. Fa: C13H13NO2
InChI Key: BIOQBKBTOAMMDG-UHFFFAOYSA-N
Appearance: Pale-red Solid

Names and Identifiers of 100393-41-7

CAS Number

100393-41-7

IUPAC Name

3-amino-3-naphthalen-1-ylpropanoic acid

InChI

InChI=1S/C13H13NO2/c14-12(8-13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2,(H,15,16)

InChIKey

BIOQBKBTOAMMDG-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)N

Physical and chemical properties of 100393-41-7

Acidity coefficient

3.41±0.12(Predicted)

Boiling Point

412.3ºC at 760mmHg

Density

1.252g/cm3

Exact Mass

215.09500

Flash Point

203.2ºC

Index of Refraction

1.658

LogP

3.01460

Melting Point

217-219ºC

Molecular Formula

C13H13NO2

Molecular Weight

215.24800

PSA

63.32000

Storage condition

Keep in dark place,Inert atmosphere,Room temperature

Vapour Pressure

1.54E-07mmHg at 25°C

Safety Information of 100393-41-7

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 100393-41-7

3-Amino-3-(naphthalen-1-yl)propanoic acid has several applications across different fields:

  • Pharmaceuticals: It is studied for its potential use as a neuroprotective agent and in treatments for neurological disorders.
  • Biochemical Research: Used as a biochemical probe to study receptor interactions and signaling pathways in cellular systems.
  • Material Science: Its unique chemical properties make it suitable for developing new materials with specific functionalities.

The versatility of this compound makes it valuable in both academic research and industrial applications.

Interaction Studies of 100393-41-7

Interaction studies have focused on the binding affinity of 3-Amino-3-(naphthalen-1-yl)propanoic acid with various biological targets, particularly neurotransmitter receptors. Preliminary findings suggest that it may exhibit competitive inhibition at certain receptor sites, indicating potential therapeutic implications. Further studies are needed to elucidate its mechanism of action and efficacy in vivo.

Biological Activity of 100393-41-7

Research indicates that 3-Amino-3-(naphthalen-1-yl)propanoic acid exhibits significant biological activity, particularly as a potential neuroprotective agent. Its structural similarity to neurotransmitters suggests it may interact with receptors in the central nervous system. Studies have shown that compounds with similar structures can modulate neurotransmitter systems, potentially offering therapeutic benefits for neurodegenerative diseases.

Physical sample testing spectrum (NMR) of 100393-41-7

Physical sample testing spectrum (NMR) of 100393-41-7

Retrosynthesis analysis of 100393-41-7

  • Route#1

    Cas:141-82-2
    Cas:66-77-3
    Cas:100393-41-7