4-[4-(4-Carbamimidoylanilino)butylamino]benzenecarboximidamide

Base Information

• Chemical Name: 4-[4-(4-Carbamimidoylanilino)butylamino]benzenecarboximidamide
• CAS No.: 125880-82-2
• Molecular Formula: C18H24 N6
• Molecular Weight: 324.42
• DSSTox Substance ID: DTXSID20154978
• Nikkaji Number: J292.008E
• Wikidata: Q83022474
• ChEMBL ID: CHEMBL283745
• Mol file: 125880-82-2.mol

Synonyms:125880-82-2;4-[4-(4-carbamimidoylanilino)butylamino]benzenecarboximidamide;4,4'-(1,4-Butanediyldiimino)bis-benzenecarboximidamide;4-[4-[(4-CARBAMIMIDOYLPHENYL)AMINO]BUTYLAMINO]BENZENECARBOXIMIDAMIDE;CHEMBL1204156;1,4-Di(4-amidinophenylamino)butane;CHEMBL283745;SCHEMBL5524345;DTXSID20154978;BDBM50368093;4-[4-(4-carbamimidoylanilino)butylamino]benzamidine

Chemical Property of 4-[4-(4-Carbamimidoylanilino)butylamino]benzenecarboximidamide

Chemical Property:

• Vapor Pressure: 5.12E-13mmHg at 25°C
• Boiling Point: 570.3°Cat760mmHg
• Flash Point: 298.7°C
• PSA: 123.80000
• Density: 1.23g/cm³
• LogP: 4.30500
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 324.20624479
• Heavy Atom Count: 24
• Complexity: 356

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)NCCCCNC2=CC=C(C=C2)C(=N)N

Technology Process of 4-[4-(4-Carbamimidoylanilino)butylamino]benzenecarboximidamide

There total 3 articles about 4-[4-(4-Carbamimidoylanilino)butylamino]benzenecarboximidamide 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: 43.0%

C20H26N4O2*2ClH → 1,4-bis(4-amidinoanilino)butane (125880-82-2)

Guidance literature:

With ammonia;

DOI:10.1021/jm00166a026

Reference yield:

1,4-bis(4-cyanoanilino)butane (125880-63-9) → 1,4-bis(4-amidinoanilino)butane (125880-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl (gas) / dioxane / 504 h / Ambient temperature

2: 43 percent / ethanol. NH₃

With hydrogenchloride; ammonia; In 1,4-dioxane;

DOI:10.1021/jm00166a026

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 1,4-bis(4-amidinoanilino)butane (125880-82-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 48 percent / triethylamine / dimethylsulfoxide / 3 h / 150 °C

2: HCl (gas) / dioxane / 504 h / Ambient temperature

3: 43 percent / ethanol. NH₃

With hydrogenchloride; ammonia; triethylamine; In 1,4-dioxane; dimethyl sulfoxide;

DOI:10.1021/jm00166a026

upstream raw materials:

4-fluorobenzonitrile

1,4-bis(4-cyanoanilino)butane

Refernces

• 1、 Tidwell,Jones,Geratz,Ohemeng,Cory,Hall. "Analogues of 1,5-bis(4-amidinophenoxy)pentane (pentamidine) in the treatment of experimental Pneumocystis carinii pneumonia". . p. 1252 - 1257. Retrieved 2007/10/02.