N,N-(4-Xylylidene)bisaminoguanidine

Base Information

• Chemical Name: N,N-(4-Xylylidene)bisaminoguanidine
• CAS No.: 1945-65-9
• Molecular Formula: C10H14 N8
• Molecular Weight: 246.27
• Hs Code.: 2928000090
• Metabolomics Workbench ID: 64976
• ChEMBL ID: CHEMBL403278
• Mol file: 1945-65-9.mol

Synonyms:N,N-(4-xylylidene)bisaminoguanidine;N,N-(4-xylylidene)bisaminoguanidine, dihydrochloride;N,N-(p-xylylidene)bisaminoguanidine

Chemical Property of N,N-(4-Xylylidene)bisaminoguanidine

Chemical Property:

• Vapor Pressure: 5.11E-11mmHg at 25°C
• Boiling Point: 522.6°Cat760mmHg
• Flash Point: 269.9°C
• PSA: 148.52000
• Density: 1.43g/cm³
• LogP: 1.70240
• XLogP3: -1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 246.13414248
• Heavy Atom Count: 18
• Complexity: 318

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NN=C(N)N)C=NN=C(N)N
• Isomeric SMILES: C1=CC(=CC=C1/C=N/N=C(N)N)/C=N/N=C(N)N

Technology Process of N,N-(4-Xylylidene)bisaminoguanidine

There total 4 articles about N,N-(4-Xylylidene)bisaminoguanidine 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:

C10H14N8*CrH2O4 → 1,4-Diformyl-benzol-di-guanylhydrazon (1945-65-9)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1016/j.cclet.2019.11.034

Reference yield:

terephthalaldehyde, (623-27-8) + 1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) → 1,4-Diformyl-benzol-di-guanylhydrazon (1945-65-9)

Guidance literature:

With hydrogenchloride; In ethanol;

DOI:10.1021/jm50017a013

Reference yield:

terephthalaldehyde, (623-27-8) → 1,4-Diformyl-benzol-di-guanylhydrazon (1945-65-9)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 6 h / Reflux

2: potassium chromate / water

3: sodium hydroxide / water

With potassium chromate; sodium hydroxide; In ethanol; water;

DOI:10.1016/j.cclet.2019.11.034

upstream raw materials:

aminoguanidine bicarbonate

terephthalaldehyde,

1-aminoguanidine hydrochloride

Refernces

• 1、 Sielaff, Frank,Than, Manuel E.,Bevec, Dorian,Lindberg, Iris,Steinmetzer, Torsten. "New furin inhibitors based on weakly basic amidinohydrazones". body text. p. 836 - 840. Retrieved 2011/02/27.