4-Aminobenzamidine

Base Information

• Chemical Name: 4-Aminobenzamidine
• CAS No.: 3858-83-1
• Molecular Formula: C7H9N3
• Molecular Weight: 135.169
• European Community (EC) Number: 223-370-7
• NSC Number: 227928
• UNII: 63GK9KT599
• DSSTox Substance ID: DTXSID30191899
• Nikkaji Number: J73.146C,J2.428.656H
• Wikidata: Q27263611
• ChEMBL ID: CHEMBL124632
• Mol file: 3858-83-1.mol

Synonyms:4-aminobenzamidine;p-aminobenzamidine;para-aminobenzamidine

Chemical Property of 4-Aminobenzamidine

Chemical Property:

• Melting Point: 182 °C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 289.8°Cat760mmHg
• PKA: 13.35±0.50(Predicted)
• Flash Point: 129°C
• PSA: 75.89000
• Density: 1.26g/cm³
• LogP: 1.93410
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.079647300
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99%, ^*data from raw suppliers

4-Aminobenzimidamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)N

Technology Process of 4-Aminobenzamidine

There total 12 articles about 4-Aminobenzamidine 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: 98.0%

4-nitrobenzonitrile (619-72-7) → p-aminobenzamidine (3858-83-1)

Guidance literature:

4-nitrobenzonitrile; With hydroxylamine hydrochloride; potassium carbonate; In ethanol; water; at 80 ℃; for 1h;

With hydrogen; In ethanol; water; at 20 ℃; for 4h; under 1125.11 Torr;

Reference yield: 59.0%

4-amino-N'-hydroxybenzimidamide (277319-62-7) → p-aminobenzamidine (3858-83-1)

Guidance literature:

With 1% Pd on activated carbon; ammonium formate; acetic acid; for 96h; Reflux;

DOI:10.1016/j.bmc.2015.05.005

Reference yield: 10.0%

→ 1-[[3-[(2,4-Dimethylquinolin-8-yl)oxymethyl]-2,4-dichlorophenyl]sulfonyl]-N-[3-[[4-(aminoiminomethyl)phenyl]aminocarbonyl]propyl]-2(S)-pyrrolidinecarboxamide + p-aminobenzamidine (3858-83-1)

Guidance literature:

upstream raw materials:

4-nitrobenzamidine

4-Aminobenzonitrile

4-nitrobenzamidine hydrochloride

4-nitrobenzohydroximoyl chloride

Downstream raw materials:

diminazene

Refernces

• 1、 -. "Synthesis method for benzamidine derivatives". Paragraph 0009. . Retrieved 2017/05/04.
• 2、 -. "Method for synthesizing benzamidine derivative". Paragraph 0009. . Retrieved 2017/05/16.