Octanediimidamide

Base Information

• Chemical Name: Octanediimidamide
• CAS No.: 119301-02-9
• Molecular Formula: C₈H₁₈N₄
• Molecular Weight: 170.258
• DSSTox Substance ID: DTXSID60402723
• Wikidata: Q82206192
• ChEMBL ID: CHEMBL105668
• Mol file: 119301-02-9.mol

Synonyms:Octanediimidamide;1,6-Diamidinohexane;119301-02-9;CHEMBL105668;OCTANEBIS(IMIDAMIDE);SCHEMBL23668354;1,7-diimino-1,7-octanediamine;DTXSID60402723;BDBM50032477;AKOS006295192

Chemical Property of Octanediimidamide

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 300.7°Cat760mmHg
• PKA: 12.99±0.40(Predicted)
• Flash Point: 135.7°C
• PSA: 99.74000
• Density: 1.14g/cm³
• LogP: 2.79900
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.153146591
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

99%min ^*data from raw suppliers

1,6-DIAMIDINOHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCC(=N)N)CCC(=N)N

Technology Process of Octanediimidamide

There total 2 articles about Octanediimidamide 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:

octanediimidic acid diethyl ester; dihydrochloride (57281-62-6,71100-18-0) → Suberinsaeureamidin (119301-02-9)

Guidance literature:

With ethanol; ammonia;

Reference yield:

octanedinitrile (629-40-3) → Suberinsaeureamidin (119301-02-9)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / unter Kuehlung und Ausschuss von Feuchtigkeit

2: alcohol; NH₃

With hydrogenchloride; ethanol; ammonia;

upstream raw materials:

octanediimidic acid diethyl ester; dihydrochloride

octanedinitrile