N1-(2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)ethane-1,2-diamine

Base Information

• Chemical Name: N1-(2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)ethane-1,2-diamine
• CAS No.: 31295-54-2
• Molecular Formula: C10H25 N5
• Molecular Weight: 215.342
• Hs Code.: 2933599090
• European Community (EC) Number: 250-557-0
• DSSTox Substance ID: DTXSID7067611
• Nikkaji Number: J278.087I
• Wikidata: Q72436889
• Mol file: 31295-54-2.mol

Synonyms:31295-54-2;N1-(2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)ethane-1,2-diamine;1,4-Piperazinediethanamine, N-(2-aminoethyl)-;N-(2-Aminoethyl)-1,4-piperazinediethanamine;N-(2-Aminoethyl)piperazine-1,4-diethylamine;EINECS 250-557-0;N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;2-(4-{2-[(2-aminoethyl)amino]ethyl}piperazin-1-yl)ethan-1-amine;1,4-Piperazinediethanamine, N1-(2-aminoethyl)-;SCHEMBL601212;DTXSID7067611;AKOS015999099;BP-27930;BS-52991;CS-0309104;N-(2-Aminoethyl)piperazin-1,4-diethylamine;n-(2-aminoethyl)piperazin-1,4-diethyl amine;E78491;EN300-157398;N1-(2-Aminoethyl)-1,4-piperazinediethanamine;Z1509148898

Chemical Property of N1-(2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)ethane-1,2-diamine

Chemical Property:

• Vapor Pressure: 4.9E-05mmHg at 25°C
• Boiling Point: 348.8°Cat760mmHg
• PKA: 10.11±0.10(Predicted)
• Flash Point: 164.8°C
• PSA: 70.55000
• Density: 1.011g/cm³
• LogP: -0.22170
• Storage Temp.: 2-8°C
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 215.21099582
• Heavy Atom Count: 15
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

N1-(2-(4-(2-Aminoethyl)piperazin-1-yl)ethyl)ethane-1,2-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1CCN)CCNCCN
• Description: 2-(4-{2-[(2-aminoethyl)amino]ethyl}piperazin-1-yl)ethan-1-amine is a precuers for the synthesis of lipid C12-200 for LNP drug delievery. The amino groups are reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc.
• Uses: N1-(2-(4-(2-Aminoethyl)piperazin-1-yl)ethyl)ethane-1,2-diamine (CAS# 31295-54-2) is used in preparation of lipid-like materials for low-dose, in vivo gene silencing.

Technology Process of N1-(2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)ethane-1,2-diamine

There total 3 articles about N1-(2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)ethane-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:

ethyleneimine (151-56-4,9002-98-6) + 1-<2-(2-aminoethyl)aminoethyl>piperazine (24028-46-4) → 1-(2-aminoethyl)-4-<(2-aminoethyl)aminoethyl> piperazine (31295-54-2) + N-(2-aminoethyl)-N'-[2-(1-piperazinyl)ethyl]ethylenediamine (31295-49-5)

Guidance literature:

With hydrogenchloride; In water; at 25 ℃; Kinetics; Thermodynamic data; acid-catalyzed ring opening reactions at various temperature, E_a, ΔH are given;

Reference yield:

1,2-ethanediamine monohydrate (6780-13-8,16889-59-1) + tris-(2-chloroethyl)amine hydrochloride (817-09-4) → 1-(2-aminoethyl)-4-<(2-aminoethyl)aminoethyl> piperazine (31295-54-2)

Guidance literature:

Reference yield:

tris-(2-chloroethyl)amine hydrochloride (817-09-4) + ethylenediamine (107-15-3,85404-18-8) → 1-(2-aminoethyl)-4-<(2-aminoethyl)aminoethyl> piperazine (31295-54-2)

Guidance literature:

upstream raw materials:

1,2-ethanediamine monohydrate

tris-(2-chloroethyl)amine hydrochloride

ethylenediamine

ethyleneimine

Refernces