N-(3-nitrophenyl)decanamide

Base Information

• Chemical Name: N-(3-nitrophenyl)decanamide
• CAS No.: 72298-61-4
• Molecular Formula: C₁₆H₂₄N₂O₃
• Molecular Weight: 292.378
• ChEMBL ID: CHEMBL3623582
• DSSTox Substance ID: DTXSID50408390
• Wikidata: Q82213861
• Mol file: 72298-61-4.mol

Synonyms:N-(3-nitrophenyl)decanamide;Decanoyl m-Nitroaniline;72298-61-4;Decanamide,N-(3-nitrophenyl)-;CHEMBL3623582;DTXSID50408390;ZSNIMTCNOZNHRZ-UHFFFAOYSA-N;AKOS003863588;FT-0641404;A837477

Chemical Property of N-(3-nitrophenyl)decanamide

Chemical Property:

• PSA: 74.92000
• LogP: 5.27020
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 292.17869263
• Heavy Atom Count: 21
• Complexity: 315

Purity/Quality:

98%min ^*data from raw suppliers

Decanoyl m-Nitroaniline ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
• Description: Decanoyl m-Nitroaniline (DemNA) is one of several nitroaniline fatty acid amides which can be used to measure fatty acid amide hydrolase (FAAH) activity. FAAH is a relatively unselective enzyme in that it accepts a variety of amide head groups other than the ethanolamine of its endogenous substrate anandamide (arachidonyl ethanolamide; AEA). It also will hydrolyze fatty acid amides with fewer carbons and fewer double bonds than arachidonate. Exposure of DemNA to FAAH activity results in the release of the yellow colorimetric dye m-nitroaniline (ε = 13,500 at 410 nm) This allows the fast and convenient measurement of FAAH activity using a 96 well plate spectrophotometer.

Technology Process of N-(3-nitrophenyl)decanamide

There total 2 articles about N-(3-nitrophenyl)decanamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 51.7%

n-decanoyl chloride (112-13-0) + 3-nitro-aniline (99-09-2) → decanoyl m-nitroaniline (72298-61-4)

Guidance literature:

In diethyl ether; for 0.5h;

Reference yield:

1-decanoic acid (334-48-5) → decanoyl m-nitroaniline (72298-61-4)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride

2: diethyl ether / 0.5 h

With thionyl chloride; In diethyl ether;

upstream raw materials:

1-decanoic acid

n-decanoyl chloride

3-nitro-aniline

Refernces