N-(2-Hydroxyethyl)-1,3-propanediamine

Base Information

• Chemical Name: N-(2-Hydroxyethyl)-1,3-propanediamine
• CAS No.: 4461-39-6
• Molecular Formula: C5H14N2O
• Molecular Weight: 118.179
• Hs Code.: 29221980
• European Community (EC) Number: 224-718-0
• UNII: 594D12975J
• DSSTox Substance ID: DTXSID00196250
• Nikkaji Number: J205.849I
• Wikidata: Q27261651
• ChEMBL ID: CHEMBL361813
• Mol file: 4461-39-6.mol

Synonyms:1,3-Diamino-N-(2-hydroxyethyl)propane;1,3-Diamino-N-(hydroxyethyl)propane;2-[(3-Aminopropyl)amino]ethanol;3-(Hydroxyethylamino)propanamine;Koei 3311;N-(2-Hydroxyethyl)-1,3-diaminopropane;N-(2-Hydroxyethyl)trimethylenediamine;N-(Aminopropyl)ethanolamine;N-(Hydroxyethyl)propane-1,3-diamine;N-(b-Hydroxyethyl)-1,3-diaminopropane;

Chemical Property of N-(2-Hydroxyethyl)-1,3-propanediamine

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.00648mmHg at 25°C
• Melting Point: 15-19 °C
• Refractive Index: n20/D 1.486
• Boiling Point: 240.7 °C at 760 mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 99.4 °C
• PSA: 58.28000
• Density: 0.976 g/cm³
• LogP: 0.00830
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: miscible
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 118.110613074
• Heavy Atom Count: 8
• Complexity: 41.4

Purity/Quality:

99% ^*data from raw suppliers

2-(3-Aminopropylamino)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-37-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CNCCO
• Uses: Curing epoxy resins.

Technology Process of N-(2-Hydroxyethyl)-1,3-propanediamine

There total 4 articles about N-(2-Hydroxyethyl)-1,3-propanediamine 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: 98.2%

3-<(2-hydroxyethyl)amino>propionitrile (33759-44-3) → 2-[(3-aminopropyl)amino]ethanol (4461-39-6)

Guidance literature:

With rhodium(III) oxide; gold oxide; hydrogen; at 82 - 83 ℃; for 18h; under 15001.5 Torr; Pressure;

Reference yield: 20.0%

oxirane (75-21-8,99932-75-9) + Trimethylenediamine (109-76-2,54018-94-9) → 2-[(3-aminopropyl)amino]ethanol (4461-39-6) + N,N'-bis(2-hydroxyethyl)-1,3-propanediamine (10563-27-6)

Guidance literature:

In methanol; at 0 ℃;

DOI:10.1016/0223-5234(96)88208-0

Reference yield:

azetidine (503-29-7) + ethanolamine (141-43-5) → 2-[(3-aminopropyl)amino]ethanol (4461-39-6)

Guidance literature:

With perchloric acid; at 25 ℃; Rate constant; Thermodynamic data; E(a), ΔS(excit.);

upstream raw materials:

3-<(2-hydroxyethyl)amino>propionitrile

azetidine

ethanolamine

oxirane

Downstream raw materials:

{3-[Benzyloxycarbonyl-(2-hydroxy-ethyl)-amino]-propyl}-carbamic acid benzyl ester

piperazine

1,4-bis({3-[(2-hydroxyethyl)amino]-propyl}amino)-9,10-dihydroanthracene-9,10-dione

N-(5-chloro-2-hydroxyphenyl)-N'-[3-(2-hydroxyethylamino)propyl]oxamide

Refernces

• 1、 Oiry, J.,Pue, J. Y.,Laval, J. D.,Fatome, M.,Imbach, J. L.. "Synthesis and radioprotective activity of WR-1065 derivatives: N-(2-acetylthioethyl)-1,3-propanediamine and N,N'-bis(2-acetylthioethyl)-1,3-propanediamine". . p. 47 - 52. Retrieved 2007/10/02.