N1-octylethane-1,2-diamine

Base Information

• Chemical Name: N1-octylethane-1,2-diamine
• CAS No.: 40510-21-2
• Molecular Formula: C10H24N2
• Molecular Weight: 172.314
• Hs Code.: 2921290000
• DSSTox Substance ID: DTXSID80400125
• Nikkaji Number: J781.693F
• Wikidata: Q82202959
• Mol file: 40510-21-2.mol

Synonyms:N1-octylethane-1,2-diamine;40510-21-2;N-OCTYL-ETHYLENE-1,2-DIAMINE;N-OCTYL-1,2-ETHANEDIAMINE;N'-octylethane-1,2-diamine;N-octylethylenediamine;1,2-Ethanediamine, N-octyl-;MFCD03551912;2-aminoethyl-octyl-amine;SCHEMBL474235;N~1~-octyl-1,2-ethanediamine;DTXSID80400125;UTPUPJKKYXJFPX-UHFFFAOYSA-N;AKOS010109834;AB15567;CS-W003090;CS-11433;SY020672;AM20130031;FT-0693780;A825145;N-Octyl-1,2-ethanediamine;4-(9-(Pyridin-4-ylmethyl)-9H-fluoren-9-yl)butanenitrile

Chemical Property of N1-octylethane-1,2-diamine

Chemical Property:

• PSA: 38.05000
• LogP: 2.98640
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 172.193948774
• Heavy Atom Count: 12
• Complexity: 74.2

Purity/Quality:

97% ^*data from raw suppliers

N1-Octylethane-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCNCCN

Technology Process of N1-octylethane-1,2-diamine

There total 6 articles about N1-octylethane-1,2-diamine 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: 48.0%

n-chlorooctane (111-85-3) + ethylenediamine (107-15-3,85404-18-8) → N-n-Octyl-diaminoethan-1,2 (40510-21-2)

Guidance literature:

In ethanol; for 24h; Heating;

DOI:10.1016/j.bmcl.2007.07.073

Reference yield:

1-bromo-octane (111-83-1) + ethylenediamine (107-15-3,85404-18-8) → N-n-Octyl-diaminoethan-1,2 (40510-21-2)

Guidance literature:

With potassium iodide; at 110 ℃; for 24h;

DOI:10.1039/c2sm27288a

Reference yield:

octanol (111-87-5) + ethylenediamine (107-15-3,85404-18-8) → N,N-di-n-octyl-1,2-ethanediamine (90965-55-2) + C26H56N2 + N,N′-dioctylethylenediamine (1656-55-9) + N-n-Octyl-diaminoethan-1,2 (40510-21-2)

Guidance literature:

With hydrogen; at 200 ℃; for 8h; under 7500.75 Torr; Product distribution / selectivity;

upstream raw materials:

ethyleneimine

n-Octylamine

n-chlorooctane

ethylenediamine

Downstream raw materials:

1-n-Octyl-2-(2-hydroxy-5-nitrophenyl)-Δ²-imidazolin

1-n-Octyl-2-(2-hydroxy-3-nitrophenyl)-Δ²-imidazolin

1-n-Octyl-2-(o-hydroxyphenyl)-Δ²-imidazolin

N-n-Octyl-N'-(o-hydroxybenzoyl)-diaminoethan-1,2