N-(4-Cyanophenyl)-N'-(2-carboxyethyl)urea

Base Information

• Chemical Name: N-(4-Cyanophenyl)-N'-(2-carboxyethyl)urea
• CAS No.: 74390-15-1
• Molecular Formula: C11H11 N3 O3
• Molecular Weight: 233.22
• DSSTox Substance ID: DTXSID00995907
• Nikkaji Number: J476.592C
• Wikidata: Q82987518
• ChEMBL ID: CHEMBL83529
• Mol file: 74390-15-1.mol

Synonyms:CNPh-COEt-urea;N-(4-cyanophenyl)-N'-(2-carboxyethyl)urea;N-(4-cyanophenyl)-N'-(2-carboxyethyl)urea, sodium salt

Chemical Property of N-(4-Cyanophenyl)-N'-(2-carboxyethyl)urea

Chemical Property:

• Vapor Pressure: 3.15E-09mmHg at 25°C
• Boiling Point: 459.2°C at 760 mmHg
• Flash Point: 231.5°C
• PSA: 105.71000
• Density: 1.34g/cm³
• LogP: 1.43188
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 233.08004122
• Heavy Atom Count: 17
• Complexity: 326

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)NC(=O)NCCC(=O)O

Technology Process of N-(4-Cyanophenyl)-N'-(2-carboxyethyl)urea

There total 1 articles about N-(4-Cyanophenyl)-N'-(2-carboxyethyl)urea 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:

p-cyanophenyl isocyanate (40465-45-0) + 3-amino propanoic acid (107-95-9) → β-[[[(4-cyanophenyl)amino]carbonyl]amino]propanoic acid (74390-15-1)

Guidance literature:

With sodium hydroxide; In methanol; ethyl acetate;

upstream raw materials:

p-cyanophenyl isocyanate

3-amino propanoic acid