N-(2-Aminoethyl)-N-octylethylenediamine

Base Information

• Chemical Name: N-(2-Aminoethyl)-N-octylethylenediamine
• CAS No.: 93839-35-1
• Molecular Formula: C12H29 N3
• Molecular Weight: 215.382
• European Community (EC) Number: 298-805-7
• UNII: 6W4PV7R4TL
• DSSTox Substance ID: DTXSID80239735
• Nikkaji Number: J312.450I
• Wikidata: Q83122169

Synonyms:N-(2-Aminoethyl)-N-octylethylenediamine;93839-35-1;EINECS 298-805-7;6W4PV7R4TL;UNII-6W4PV7R4TL;1,2-Ethanediamine, N1-(2-aminoethyl)-N1-octyl-;4-Octyldiethylenetriamine;N'-(2-aminoethyl)-N'-octylethane-1,2-diamine;4(n-octyl) diethylenetriamine;SCHEMBL18875934;DTXSID80239735;AKOS012220337;N1-(2-Aminoethyl)-N1-octyl-1,2-ethanediamine

Chemical Property of N-(2-Aminoethyl)-N-octylethylenediamine

Chemical Property:

• Vapor Pressure: 0.00156mmHg at 25°C
• Boiling Point: 295.1°C at 760 mmHg
• Flash Point: 130.5°C
• Density: 0.892g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 215.236147938
• Heavy Atom Count: 15
• Complexity: 111

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN(CCN)CCN

Technology Process of N-(2-Aminoethyl)-N-octylethylenediamine

There total 3 articles about N-(2-Aminoethyl)-N-octylethylenediamine 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: 54.0%

3-octyl-1,5-diphthalimido-3-azapentane (661486-69-7) → 1,5-diamino-3-n-octyl-3-azapentane (93839-35-1)

Guidance literature:

With hydrazine hydrate; In ethanol; for 36h; Heating;

DOI:10.1021/ja035671m

Reference yield:

1-Iodooctane (629-27-6) + (7E)-N**(1)-benzylidene-N**(2)[(E)-2-(benzylideneamino)ethyl]ethane-1,2-diamine (19093-67-5) → 1,5-diamino-3-n-octyl-3-azapentane (93839-35-1)

Guidance literature:

Multistep reaction; (i) Et₃N, benzene, (ii) aq. HCl;

Reference yield:

→ 1,5-diamino-3-n-octyl-3-azapentane (93839-35-1)

Guidance literature:

entspr. Propionamid, NaOCl;

upstream raw materials:

1-Iodooctane

(7E)-N**⁽¹⁾-benzylidene-N**⁽²⁾[(E)-2-(benzylideneamino)ethyl]ethane-1,2-diamine

3-octyl-1,5-diphthalimido-3-azapentane

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