N-Ethyl-1,3-propanediamine

Base Information

• Chemical Name: N-Ethyl-1,3-propanediamine
• CAS No.: 10563-23-2
• Deprecated CAS: 324027-50-1
• Molecular Formula: C5H14N2
• Molecular Weight: 102.18
• Hs Code.: 2921290000
• European Community (EC) Number: 234-146-3
• NSC Number: 166312
• UNII: X4W65IF5EO
• DSSTox Substance ID: DTXSID7065126
• Nikkaji Number: J226.990B
• Wikidata: Q27293558
• Mol file: 10563-23-2.mol

Synonyms:N-(2-aminoethyl)-3-aminopropane;N-(2-aminoethyl)-3-aminopropane dihydrochloride

Chemical Property of N-Ethyl-1,3-propanediamine

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 4.59mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 146.6 °C at 760 mmHg
• PKA: 10.74±0.10(Predicted)
• Flash Point: 44.4 °C
• PSA: 38.05000
• Density: 0.826 g/cm³
• LogP: 1.03590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 102.115698455
• Heavy Atom Count: 7
• Complexity: 29.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

N1-Ethyl-1,3-propanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCCCN
• Uses: N-Ethylpropylenediamine used as a antibacterial nanogel in dental practices.

Technology Process of N-Ethyl-1,3-propanediamine

There total 8 articles about N-Ethyl-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:

N-(3-benzylaminopropyl)-N'-(3-ethylaminopropyl)butane-1,4-diamine (1111644-29-1) → N-ethyl-1,3-diaminopropane (10563-23-2) + N-(3-aminopropyl)-N'-(3-ethylaminopropyl)butane-1,4-diamine + benzylamine (100-46-9) + N1-(3-ethylaminopropyl)butane-1,4-diamine

Guidance literature:

With recombinant human polyamine oxidase; pH=9.5; pH-value; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1007/s00726-009-0429-2

Reference yield:

N-(3-benzylaminopropyl)-N'-(3-ethylaminopropyl)butane-1,4-diamine (1111644-29-1) → N-(3-aminopropyl)-1,4-diaminobutane (124-20-9) + N-ethyl-1,3-diaminopropane (10563-23-2) + N-benzyl-1,3-diaminopropane (13910-48-0) + N-(3-aminopropyl)-N'-(3-ethylaminopropyl)butane-1,4-diamine + benzylamine (100-46-9) + N1-(3-ethylaminopropyl)butane-1,4-diamine + N-{3-[(4-aminobutyl)amino]propyl}(phenylmethyl)amine

Guidance literature:

With spermine oxidase; pH=9.5; pH-value; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1007/s00726-009-0429-2

Reference yield:

3-ethylamino propionitrile (21539-47-9) → N-ethyl-1,3-diaminopropane (10563-23-2)

Guidance literature:

With ammonia; nickel; at 115 - 120 ℃; under 73550.8 - 128714 Torr; Hydrogenation;

DOI:10.1021/ja01233a019

upstream raw materials:

3-ethylamino propionitrile

N-(3-benzylaminopropyl)-N'-(3-ethylaminopropyl)butane-1,4-diamine

N₁,N₁₂-diethylspermine

Downstream raw materials:

1-Ethyl-10b-phenyl-1,3,4,10b-tetrahydro-pyrimido[2,1-a]isoindol-6(2H)-one

(E)-3-{3-[6-(3-Ethylamino-propylamino)-pyrazin-2-yl]-phenyl}-acrylic acid

C₁₉H₂₄N₄O₂

1-ethyltetrahydropyrimidin-2(1 H)-one

Refernces