Alexidine

Base Information

• Chemical Name: Alexidine
• CAS No.: 22573-93-9
• Deprecated CAS: 25795-30-6
• Molecular Formula: C26H56N10
• Molecular Weight: 508.798
• Hs Code.: 29224995
• European Community (EC) Number: 245-096-7
• UNII: GVN71CAL3G
• DSSTox Substance ID: DTXSID4048482
• Nikkaji Number: J11.492H
• Wikipedia: Alexidine
• Wikidata: Q15633921
• NCI Thesaurus Code: C80849
• Pharos Ligand ID: SZLRFDYACUPR
• Metabolomics Workbench ID: 58696
• ChEMBL ID: CHEMBL1195210
• Mol file: 22573-93-9.mol

Synonyms:alexidine;alexidine diacetate;alexidine dihydrchloride;alexidine dihydrofluoride;Rotersept

Chemical Property of Alexidine

Chemical Property:

• Vapor Pressure: 3.38E-17mmHg at 25°C
• Melting Point: 220-224
• Refractive Index: 1.551
• Boiling Point: 658.2 °C at 760 mmHg
• PKA: 12.34±0.10(Predicted)
• Flash Point: 351.8 °C
• PSA: 167.58000
• Density: 1.1 g/cm³
• LogP: 8.60460
• Storage Temp.: 2-8°C
• Solubility.: Methanol (Slightly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 23
• Exact Mass: 508.46894183
• Heavy Atom Count: 36
• Complexity: 601

Purity/Quality:

98%Min ^*data from raw suppliers

Alexidine dihydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N
• Uses: Alexidine Dihydrochloride has antibacterial, antiplaque properties against Streptococcus mutans, Actinomyces ciscosus, and Actinomyces naesludii. Has antibacterial, antiplaque properties against Streptococcus mutans, Actinomyces ciscosus, and Actinomyces naesludii
• Therapeutic Function: Antiseptic

Technology Process of Alexidine

There total 4 articles about Alexidine 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: 46.0%

1,6-di-(N3-cyano-N1-guanidino)hexane (15894-70-9) + 2-ethyl-hexylamine hydrochloride (26392-49-4) → alexidine (22573-93-9)

Guidance literature:

at 155 ℃; for 1h;

DOI:10.1002/anie.201208889

Reference yield:

2-Ethylhexylamine (104-75-6) + 1,6-di-(N3-cyano-N1-guanidino)hexane (15894-70-9) → alexidine (22573-93-9)

Guidance literature:

at 155 ℃;

DOI:10.1021/jm00206a024

Reference yield:

hexane-1,6-diamine dihydrochloride (6055-52-3) → alexidine (22573-93-9)

Guidance literature:

Multi-step reaction with 2 steps

1: butan-1-ol / 8 h / Reflux

2: 1 h / 155 °C

In butan-1-ol;

DOI:10.1002/anie.201208889

upstream raw materials:

2-Ethylhexylamine

1,6-di-(N³-cyano-N¹-guanidino)hexane

hexane-1,6-diamine dihydrochloride

2-ethyl-hexylamine hydrochloride

Refernces

• 1、 Graeber, Martin,Hell, Michael,Groest, Corinna,Friberg, Anders,Sperl, Bianca,Sattler, Michael,Berg, Thorsten. "Oral disinfectants inhibit protein-protein interactions mediated by the anti-apoptotic protein Bcl-xL and induce apoptosis in human oral tumor cells". . p. 4487 - 4491. Retrieved 2013/05/22.