N,N'-Diethyl-1,3-propanediamine

Base Information

• Chemical Name: N,N'-Diethyl-1,3-propanediamine
• CAS No.: 10061-68-4
• Deprecated CAS: 1227848-84-1
• Molecular Formula: C7H18N2
• Molecular Weight: 130.233
• European Community (EC) Number: 233-200-3
• NSC Number: 137826
• UNII: Q9WI8J247H
• DSSTox Substance ID: DTXSID8064935
• Nikkaji Number: J236.153A
• Wikidata: Q72462139
• Mol file: 10061-68-4.mol

Synonyms:10061-68-4;N,N'-Diethyl-1,3-propanediamine;N1,N3-Diethylpropane-1,3-diamine;N,N'-Diethylpropane-1,3-diamine;1,3-Propanediamine, N,N'-diethyl-;N,N'-Diethyl-1,3-diaminopropane;1,3-Propanediamine, N1,N3-diethyl-;N1,N3-Diethyl-1,3-propanediamine;Q9WI8J247H;N,N/'-Diethyl-1,3-propanediamine;EINECS 233-200-3;NSC 137826;NSC-137826;AI3-52755;1,3-Bis(ethylamino)propane;N,N'-Diethyl trimethylene diamine;NSC137826;C(CNCC)CNCC;UNII-Q9WI8J247H;SCHEMBL330921;DTXSID8064935;N,N'-Diethyl-1,3-propandiamine;n,n'-diethyl-1,3-propylenediamine;N,N''-Diethyl-1,3-propanediamine;N,N/'-Diethylpropane-1,3-diamine;MFCD00009036;AKOS005289622;N,N'-Diethyl-1,3-propanediamine, 97%;AM20070653;BB 0262167;FT-0695152;A24682;J-000181;1,3-Bis(ethylamino)propane (sym.), purum, >=97.0% (GC);ethyl-[3-(ethylamino)propyl]amine

Chemical Property of N,N'-Diethyl-1,3-propanediamine

Chemical Property:

• Vapor Pressure: 1 mm Hg ( 20 °C)
• Melting Point: -60 °C
• Refractive Index: n20/D 1.4374(lit.)
• Boiling Point: 185.9 °C at 760 mmHg
• PKA: 11.11±0.19(Predicted)
• Flash Point: 50.6 °C
• PSA: 24.06000
• Density: 0.805 g/cm³
• LogP: 1.37730
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 130.146998583
• Heavy Atom Count: 9
• Complexity: 40.2

Purity/Quality:

99% ^*data from raw suppliers

N,N′-Diethyl-1,3-propanediamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 10-34-43
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCNCCCNCC
• Uses: N,N′-Diethyl-1,3-propanediamine was used as displacer in parallel batch screening for ribonuclease A and α-chymotrypsinogen A adsorbed together on high-performance sepharose SP. It was used to develop robotic high-throughput displacer screen to identify chemically selective displacers for several protein pairs in cation exchange chromatography.

Technology Process of N,N'-Diethyl-1,3-propanediamine

There total 2 articles about N,N'-Diethyl-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:

ethylamine (75-04-7,85404-22-4) + acrolein (107-02-8,25068-14-8) → N,N'-diethyl-1,3-propanediamine (10061-68-4)

Guidance literature:

With potassium carbonate; und Hydrieren des Reaktionsproduktes an Raney-Nickel;

DOI:10.1021/ja01128a044

Reference yield:

→ N,N'-diethyl-1,3-propanediamine (10061-68-4)

Guidance literature:

/BRN= 773668/;

Reference yield: 100.0%

N,N'-diethyl-1,3-propanediamine (10061-68-4) + 3-(trimethylsilyl)prop-2-ynoic acid (5683-31-8) + p-(chloromethyl)benzoyl chloride (876-08-4) + benzyl bromide (100-39-0) + benzylamine (100-46-9) → 3-(4-{[3-(benzyl-ethyl-amino)-propyl]-ethyl-carbamoyl}-benzyl)-3H-[1,2,3]triazole-4-carboxylic acid benzylamide

Guidance literature:

Multistep reaction;

DOI:10.1021/ol047637y

upstream raw materials:

ethylamine

acrolein

Downstream raw materials:

(1,3-Diethyl-hexahydro-pyrimidin-2-yl)-phenyl-methanone

N,N'-Diethyl-N-[3-(trityl-amino)-propyl]-propane-1,3-diamine

N-Ethyl-N-(3-{ethyl-[3-(trityl-amino)-propyl]-amino}-propyl)-N'-trityl-propane-1,3-diamine

C₂₁H₂₈N₄O₂