Hexedine

Base Information

• Chemical Name: Hexedine
• CAS No.: 5980-31-4
• Molecular Formula: C22H45 N3
• Molecular Weight: 351.61
• NSC Number: 356715
• UNII: LRE2528Y9E
• DSSTox Substance ID: DTXSID70863669
• Nikkaji Number: J8.323B
• Wikidata: Q27283149
• NCI Thesaurus Code: C83754
• ChEMBL ID: CHEMBL2104884
• Mol file: 5980-31-4.mol

Synonyms:hexedine;Sterisol

Chemical Property of Hexedine

Chemical Property:

• Vapor Pressure: 1.56E-06mmHg at 25°C
• Refractive Index: nD22 1.4660
• Boiling Point: 397.7°C at 760 mmHg
• Flash Point: 160.8°C
• PSA: 9.72000
• Density: 0.94g/cm³
• LogP: 4.83980
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 351.361348448
• Heavy Atom Count: 25
• Complexity: 340

Purity/Quality:

99%min ^*data from raw suppliers

Hexedine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)CN1CC2(CN(CN2C1)CC(CC)CCCC)C
• Uses: Antibacterial. Hexedine is an anti-microbial agent and a drug constituent. Hexedine is a bactericide useful in the treatment of microbial infections e.g staphylococcus aureus.

Technology Process of Hexedine

There total 3 articles about Hexedine 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: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + hexetidine (141-94-6) → Hexedin (5980-31-4)

Guidance literature:

In methanol; for 16h; Heating;

Reference yield:

hexetidine (141-94-6) → Hexedin (5980-31-4)

Guidance literature:

In water; Kinetics; Mechanism; buffer pH > 5.5; investigation of equilibrium and order of react. at var. temp. - stability optimum;

Reference yield:

→ Hexedin (5980-31-4)

Guidance literature:

Nebenprodukt der Hexetidin-Synthese;

upstream raw materials:

hexetidine

formaldehyd

Refernces

• 1、 Schmidt,Kaupp. "Stability and new formulations of hexetidine. Part 1: Analysis and stability". . p. 748 - 751. Retrieved 2007/10/02.