N,N,N',N'-Tetrakis(3-aminopropyl)-1,4-butanediamine

Base Information

• Chemical Name: N,N,N',N'-Tetrakis(3-aminopropyl)-1,4-butanediamine
• CAS No.: 120239-63-6
• Deprecated CAS: 244616-38-4,1127437-75-5
• Molecular Formula: C16H40 N6
• Molecular Weight: 316.534
• European Community (EC) Number: 601-687-5
• UNII: E66EU344PY
• ChEMBL ID: CHEMBL47876
• DSSTox Substance ID: DTXSID5073084
• Nikkaji Number: J727.292H
• Wikidata: Q27276926
• Mol file: 120239-63-6.mol

Synonyms:120239-63-6;N,N,N',N'-Tetrakis(3-aminopropyl)-1,4-butanediamine;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine;DAB-AM 4;UNII-E66EU344PY;E66EU344PY;1,4-Butanediamine, N,N,N',N'-tetrakis(3-aminopropyl)-;4-CASCADE;ASTRAMOL AM 4;EC 601-687-5;N,N,N',N'-Tetrakis-(3-aminopropyl)butane-1,4-diamine;BIS(3-AMINOPROPYL)({4-[BIS(3-AMINOPROPYL)AMINO]BUTYL})AMINE;N1,N1'-(Butane-1,4-diyl)bis(N1-(3-aminopropyl)propane-1,3-diamine);1,4-Bis[bis(3-aminopropyl)amino]butane;CHEMBL47876;SCHEMBL636385;DTXSID5073084;LYBWJVKFJAIODE-UHFFFAOYSA-N;1,4-Butanediamine, N1,N1,N4,N4-tetrakis(3-aminopropyl)-;CS-0237803;FT-0711058;NS00004173;EN300-18717197;Q27276926

Chemical Property of N,N,N',N'-Tetrakis(3-aminopropyl)-1,4-butanediamine

Chemical Property:

• Vapor Pressure: 5.95E-09mmHg at 25°C
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 468.5°C at 760 mmHg
• PKA: 10.76±0.10(Predicted)
• Flash Point: 110 °C
• PSA: 110.56000
• Density: 0.96 g/mL at 25 °C(lit.)
• LogP: 2.56700
• Storage Temp.: 2-8°C
• Solubility.: water and methanol: soluble
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 17
• Exact Mass: 316.33144530
• Heavy Atom Count: 22
• Complexity: 177

Purity/Quality:

99.9% ^*data from raw suppliers

DAB-Am-4, Polypropylenimine tetramine dendrimer, generation 1 volume 428 3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCN(CCCN)CCCN)CN(CCCN)CCCN
• Uses: Coatings, adhesives, plastic additives, cosmetics, catalysts, conductive films, surfactants, controlled release and medical diagnostics.

Technology Process of N,N,N',N'-Tetrakis(3-aminopropyl)-1,4-butanediamine

There total 4 articles about N,N,N',N'-Tetrakis(3-aminopropyl)-1,4-butanediamine 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: 97.0%

3,3′,3″,3′″-(butane-1,4-diylbis(azanetriyl))tetrapropanenitrile → N,N,N',N'-tetra(3-aminopropyl)-1,4-butanediamine (120239-63-6)

Guidance literature:

With hydrogen; sodium hydroxide; In methanol; at 20 ℃; for 8h; under 5171.62 Torr;

DOI:10.1080/00397911.2014.941501

Reference yield: 96.4%

C48H64N6O8 → N,N,N',N'-tetra(3-aminopropyl)-1,4-butanediamine (120239-63-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 40 - 50 ℃; for 24h; under 22502.3 - 30003 Torr; Solvent; Pressure; Temperature;

Reference yield: 83.0%

C16H32N14 → N,N,N',N'-tetra(3-aminopropyl)-1,4-butanediamine (120239-63-6)

Guidance literature:

With hydrogen; In tetrahydrofuran; at 25 ℃; for 24h; under 37503.8 Torr; Reagent/catalyst; Pressure; Autoclave;

Downstream raw materials:

(Ph₂PCH₂)2N(CH₂)4N(CH₂PPh₂)2

Refernces

• 1、 Jitsukawa, Koichiro,Mitsudome, Takato,Mizugaki, Tomoo,Nakata, Ayako,Sheng, Min,Yamasaki, Jun. "A cobalt phosphide catalyst for the hydrogenation of nitriles". . p. 6682 - 6689. Retrieved 2020/08/24.
• 2、 -. "pyrrole Shalom intermediates". Paragraph 0059; 0060; 0061; 0062; 0063; 0064-0072. . Retrieved 2017/07/23.