structure of 5-(4-Methylpiperidin-1-yl)-2-nitrobenzoic acid

5-(4-Methylpiperidin-1-yl)-2-nitrobenzoic acid

CAS No.: 1000018-43-8
M. Wt: 264.277
M. Fa: C13H16N2O4
InChI Key: ODABWBXUJQQXPO-UHFFFAOYSA-N

Names and Identifiers of 1000018-43-8

CAS Number

1000018-43-8

MDL Number

MFCD09743726

IUPAC Name

5-(4-methylpiperidin-1-yl)-2-nitrobenzoic acid

InChI

InChI=1S/C13H16N2O4/c1-9-4-6-14(7-5-9)10-2-3-12(15(18)19)11(8-10)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)

InChIKey

ODABWBXUJQQXPO-UHFFFAOYSA-N

Canonical SMILES

CC1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000018-43-8

Acidity coefficient

2.65±0.40(Predicted)

Boiling Point

482.4±40.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

264.110992

Flash Point

245.6±27.3 °C

Index of Refraction

1.587

LogP

3.53

Molecular Formula

C13H16N2O4

Molecular Weight

264.277

Vapour Pressure

0.0±1.3 mmHg at 25°C

Safety Information of 1000018-43-8

Pictograms

Signal Word

 Warning

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

Applications of 1000018-43-8

5-(4-Methylpiperidin-1-yl)-2-nitrobenzoic acid serves multiple purposes in scientific research:

  • Medicinal Chemistry: It acts as a building block for synthesizing pharmaceutical compounds targeting neurological and inflammatory conditions.
  • Organic Synthesis: The compound is used as an intermediate in creating more complex molecules, facilitating new material development.
  • Biological Studies: Researchers investigate its potential therapeutic effects and interactions within biological systems.

Biological Activity of 1000018-43-8

Research indicates that 5-(4-Methylpiperidin-1-yl)-2-nitrobenzoic acid has potential pharmacological properties. Its structural similarity to bioactive compounds suggests it may interact with biological targets, making it a candidate for further investigation in medicinal chemistry. Studies are ongoing to explore its effects on various biological systems, particularly in relation to neurological and inflammatory conditions.