N,N-Dimethylhexylamine

Base Information

• Chemical Name: N,N-Dimethylhexylamine
• CAS No.: 4385-04-0
• Molecular Formula: C8H19N
• Molecular Weight: 129.246
• Hs Code.: 29211999
• European Community (EC) Number: 224-491-8
• UNII: B3C6KTC8LE
• DSSTox Substance ID: DTXSID70195957
• Nikkaji Number: J205.760C
• Wikidata: Q83069039
• Mol file: 4385-04-0.mol

Synonyms:N,N-Dimethylhexylamine;4385-04-0;N,N-dimethylhexan-1-amine;1-Hexanamine, N,N-dimethyl-;1-Dimethylaminohexane;B3C6KTC8LE;N,N-Dimethyl-n-hexylamine;EINECS 224-491-8;hexyldimethylamine;dimethylhexylamine;hexyl-dimethyl-amine;MFCD00009522;N-hexyl dimethylamine;UNII-B3C6KTC8LE;N-(n-Hexyl)dimethylamine;Hexanamine, N,N-dimethyl;Hexylamine, N,N-dimethyl-;N,N-Dimethyl-1-hexanamine;SCHEMBL30749;SCHEMBL158743;N,N-Dimethyl-1-hexanamine #;N,N-Dimethylhexylamine, 98%;1-(DIMETHYLAMINO)HEXANE;DTXSID70195957;AKOS017343254;BS-52620;E85388;N,N-Dimethylhexylamine, purum, >=96.0% (GC)

Chemical Property of N,N-Dimethylhexylamine

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 4.49mmHg at 25°C
• Melting Point: -76.53°C (estimate)
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 147.1 °C at 760 mmHg
• PKA: 9.99±0.28(Predicted)
• Flash Point: 33.3 °C
• PSA: 3.24000
• Density: 0.77 g/cm³
• LogP: 2.12830
• Storage Temp.: Flammables area
• Solubility.: Miscible with methanol.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 50.5

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethylhexylamine 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCN(C)C
• Uses: N,N-Dimethylhexylamine is used as an ion-pairing agent to study the poor retention of uridine diphosphate-linked intermediates on reverse phase media. It is also used in the determination of five monophosphate nucleotides in baby foods. It acts as an additive and encapsulated into the nanoparticle with salinomycin (sali), which has selective toxicity to cancer stem cells. N,N-Dimethylhexylamine was used as ion-pairing agent to study the problem of poor retention of uridine diphosphate-linked intermediates on reverse phase media. It was also used in the determining the five monophosphate nucleotides (cytidine 5′-monophosphate, uridine 5′-monophosphate, adenosine 5′-monophosphate, inosine 5′-monophosphate and guanosine 5′-monophosphate) in baby foods.

Technology Process of N,N-Dimethylhexylamine

There total 38 articles about N,N-Dimethylhexylamine 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: 100.0%

methanol (67-56-1) + hexan-1-amine (111-26-2) → N,N-dimethylhexylamine (4385-04-0)

Guidance literature:

chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); at 100 ℃;

Reference yield: 97.0%

N,N-dimethylhexanamide (5830-30-8) → N,N-dimethylhexylamine (4385-04-0)

Guidance literature:

With triethylamine alane; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1021/jo00067a033

Reference yield: 83.0%

formic acid (64-18-6) + 1-nitrohexane (646-14-0) → N,N-dimethylhexylamine (4385-04-0)

Guidance literature:

With tetrakis(triphenylphosphine)platinum; phenylsilane; C₁₂H₃₆Cl₃Mo₃N₆S₄⁽¹⁺⁾*BF₄^(1-); In tetrahydrofuran; at 100 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201702783

upstream raw materials:

formaldehyd

formic acid

n-hexylammonium bromide

hexyl-trimethyl-ammonium; hydroxide

Downstream raw materials:

n-Hexyltrimethylammonium iodide

Refernces

• 1、 Amberchan, Gabriella,Snelling, Rachel A.,Moya, Enrique,Landi, Madison,Lutz, Kyle,Gatihi, Roxanne,Singaram, Bakthan. "Reaction of Diisobutylaluminum Borohydride, a Binary Hydride, with Selected Organic Compounds Containing Representative Functional Groups". supporting information. p. 6207 - 6227. Retrieved 2021/05/06.
• 2、 -. "Method for preparing tertiary amine organic compound by decomposing substituted formamide under mild condition". Paragraph 0031-0033; 0049. . Retrieved 2021/06/13.