Hexamidine

Base Information

Chemical Name:Hexamidine
CAS No.:3811-75-4
Molecular Formula:C20H26 N4 O2
Molecular Weight:354.452
Hs Code.:
UNII:3483C2H13H
DSSTox Substance ID:DTXSID60191524
Nikkaji Number:J238.611I
Wikipedia:Hexamidine
Wikidata:Q250360
NCI Thesaurus Code:C65849
Pharos Ligand ID:QU23N9B51F6B
Metabolomics Workbench ID:148294
ChEMBL ID:CHEMBL25105
Mol file:3811-75-4.mol

Synonyms:1,6-di(para-amidinophenoxy)hexane;1,6-di-(4-amidinophenoxy)hexane;Désomédine;hexamidine;hexamidine dihydrochloride;hexamidine diisethionate;hexamidine isethionate;Hexaseptine;Hexomédine;Hexomedin;Hexomedin N;Hexomedine;Laryngomedin N;Ophtamedine

Suppliers and Price of Hexamidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
HEXAMIDINE 95.00%
5MG
$ 495.75

Total 30 raw suppliers

Chemical Property of Hexamidine

Chemical Property:

Vapor Pressure:4.35E-12mmHg at 25°C
Boiling Point:548.6°C at 760 mmHg
PKA:12.80±0.50(Predicted)
Flash Point:285.6°C
PSA：118.20000
Density:1.19g/cm³
LogP:4.87300
XLogP3:2.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:354.20557608
Heavy Atom Count:26
Complexity:388

Purity/Quality:

99% ^*data from raw suppliers

HEXAMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N
Uses hexamidine is generally used as a biocide and preservative. Some initial studies are indicating a potential to increase production of skin lipids, such as cholesterol, sphingolipids, and fatty acids. In turn this would help improve skin moisture content. Further evidence of this may be required.

Technology Process of Hexamidine

There total 7 articles about Hexamidine 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: 78.2%

: 94291-61-9
4,4'-(hexane-1,6-diylbis(oxy))dibenzonitrile

: 3811-75-4
hexamidine

Guidance literature:: With lithium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃;
DOI:10.1039/c6md00573j

Reference yield:

: 1448-62-0
4,4'-iminoethyl-1,6-diphenoxyhexane

: 3811-75-4
hexamidine

Guidance literature:: With ammonia; In methanol; at 50 ℃; for 2h; Industrial scale;

Reference yield:

: 629-03-8
1 ,6-dibromohexane

: 3811-75-4
hexamidine

Guidance literature:: Multi-step reaction with 3 steps

1: ethanol. NaOEt / 48 h / Heating

2: HCl (gas) / benzene / 72 h / Ambient temperature

3: ethanol. NH₃ / 6 h / 50 °C

With hydrogenchloride; ammonia; sodium ethanolate; In benzene;
DOI:10.1021/jm00166a026