N-(2-carboxyethyl)-N-octyl-beta-alanine

Base Information

• Chemical Name: N-(2-carboxyethyl)-N-octyl-beta-alanine
• CAS No.: 52663-87-3
• Molecular Formula: C₁₄H₂₇NO₄
• Molecular Weight: 273.373
• European Community (EC) Number: 258-081-5
• DSSTox Substance ID: DTXSID30200637
• Nikkaji Number: J137.625J
• Wikidata: Q83073781
• Mol file: 52663-87-3.mol

Synonyms:AmpholakYJH 40;Bis(2-Carboxyethyl)octylamine;3,3'-(Octylimino)dipropanoic acid (non-preferred name);

Chemical Property of N-(2-carboxyethyl)-N-octyl-beta-alanine

Chemical Property:

• Boiling Point: 433.4 °C at 760 mmHg
• PKA: 3.32±0.14(Predicted)
• Flash Point: 215.9 °C
• PSA: 77.84000
• Density: 1.067 g/cm³
• LogP: 2.59830
• Water Solubility.: 745mg/L at 25℃
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 273.19400834
• Heavy Atom Count: 19
• Complexity: 238

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN(CCC(=O)O)CCC(=O)O
• Uses: Ampholak YJH 40 is a surfactant used in detergents and shampoos and other cleaners.

Technology Process of N-(2-carboxyethyl)-N-octyl-beta-alanine

There total 1 articles about N-(2-carboxyethyl)-N-octyl-beta-alanine 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: 75.0%

n-Octylamine (111-86-4) + acrylic acid (79-10-7) → 3,3′-(octylazanediyl)dipropanoic acid (52663-87-3)

Guidance literature:

at 30 - 150 ℃; for 12h;

upstream raw materials:

n-Octylamine

acrylic acid

Refernces