Bethanidine

Base Information

• Chemical Name: Bethanidine
• CAS No.: 55-73-2
• Molecular Formula: C10H15 N3
• Molecular Weight: 177.249
• European Community (EC) Number: 204-056-9
• UNII: W8S3YM7AUU
• DSSTox Substance ID: DTXSID7022677
• Nikkaji Number: J4.563B
• Wikipedia: Bethanidine
• Wikidata: Q794152
• NCI Thesaurus Code: C81343
• Pharos Ligand ID: AS2LUS517G8J
• Metabolomics Workbench ID: 42619
• ChEMBL ID: CHEMBL1201260
• Mol file: 55-73-2.mol

Synonyms:Batel;Betanidine;Bethanidine;Bethanidine Sulfate;Bethanidine, Sulfate (2:1);Sulfate, Bethanidine

Chemical Property of Bethanidine

Chemical Property:

• Vapor Pressure: 0.00343mmHg at 25°C
• Melting Point: 195-197°
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 282.1°C at 760 mmHg
• PKA: pKa 10.6 (Uncertain)
• Flash Point: 124.4°C
• PSA: 36.42000
• Density: 0.99g/cm³
• LogP: 1.76320
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 177.126597491
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

BETHANIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=NC)NCC1=CC=CC=C1
• Uses: Betanidine is a betacyanin and an aglycone of the beet dye betanin.
• Therapeutic Function: Antihypertensive

Technology Process of Bethanidine

There total 3 articles about Bethanidine 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:

→ Bethanidine (55-73-2)

Guidance literature:

N,N',S-Trimethylisothioharnstoff-Sulfat (IV), Benzylamin;

Reference yield:

→ N-Benzyl-N',N''-dimethylguanidin (55-73-2)

Guidance literature:

entspr.Disulfid II-HBr, aq.MeNH2, NaI;

Reference yield:

→ bethanidine (55-73-2)

Guidance literature:

N-Benzyl-N'-methylformamidinsulfonsaeure, MeNH2;

Refernces

• 1、 Simon,Vvedenskiǐ,Rozovskaia,Agaranovich. "The synthesis and pharmacological evaluation of some derivatives of aralkyl-guanidines". . p. 11 - 14. Retrieved 2007/10/05.