Hexadecyldimethylamine

Base Information

• Chemical Name: Hexadecyldimethylamine
• CAS No.: 112-69-6
• Deprecated CAS: 39322-11-7,157970-55-3,340960-79-4
• Molecular Formula: C18H39N
• Molecular Weight: 269.514
• Hs Code.: 29211990
• European Community (EC) Number: 203-997-2,268-220-1,270-414-6,268-217-5,616-224-2
• NSC Number: 404177,8493
• UN Number: 2735
• UNII: 5E4QI660PW
• DSSTox Substance ID: DTXSID9026924,DTXSID801022423
• Nikkaji Number: J106.586F
• Wikidata: Q24736646
• RXCUI: 1312987
• Metabolomics Workbench ID: 156940
• ChEMBL ID: CHEMBL1877748
• Mol file: 112-69-6.mol

Synonyms:dimethylhexadecylamine;DMHDA compound;hexadecyldimethylamine

Chemical Property of Hexadecyldimethylamine

Chemical Property:

• Appearance/Colour: Liquid/Solid
• Vapor Pressure: 0.02-0.36Pa at 20-50℃
• Melting Point: 12oC
• Refractive Index: n20/D 1.444
• Boiling Point: 323.6 °C at 760 mmHg
• PKA: 9.78±0.28(Predicted)
• Flash Point: 140.4 °C
• PSA: 3.24000
• Density: 0.809 g/cm³
• LogP: 6.02930
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 269.308250248
• Heavy Atom Count: 19
• Complexity: 154
• Transport DOT Label: Corrosive

Purity/Quality:

98,99%, ^*data from raw suppliers

N,N-Dimethylhexadecylamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Nitrogen Compounds -> Amines,Aliphatic
• Canonical SMILES: CCCCCCCCCCCCCCCCN(C)C
• Uses: N,N-Dimethylhexadecylamine may be employed in the following studies:As pore size mediator for the synthesis of monodispersed mesoporous silica nanoparticles. As swelling agent in the fabrication of colloidal mesoporous silica nanoparticles of a tunable mesopore size.Preparation of 1,4-bis(N-hexadecyl-N,N-dimethylammonium)butane dibromide, Gemini surfactant.

Technology Process of Hexadecyldimethylamine

There total 11 articles about Hexadecyldimethylamine 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: 90.0%

dimethyl amine (124-40-3) + hexadecanyl bromide (112-82-3) → N,N-dimethylhexadecylamine (112-69-6)

Guidance literature:

In ethanol; at 80 ℃; for 24h;

DOI:10.1039/c4tb00389f

Reference yield: 63.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + hexadecylamine (143-27-1) → N,N-dimethylhexadecylamine (112-69-6)

Guidance literature:

With formic acid; In water; for 8h; Ambient temperature;

Reference yield:

methanol (67-56-1) + hexadecylamine (143-27-1) → N-methyl-1-hexadecanamine (13417-08-8) + N,N-dimethylhexadecylamine (112-69-6)

Guidance literature:

With potassium tert-butylate; C₃₇H₃₆Cl₂NPRuS₂; at 135 ℃; for 36h; Sealed tube; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.joc.1c01185

upstream raw materials:

formaldehyd

formic acid

hexadecylamine

cetyltrimethylammonium hydroxide

Downstream raw materials:

cetyltrimethylammonium chloride

cetyldimethylbenzylammonium chloride

ethoxycarbonyl-methyl-hexadecyl-dimethyl-ammonium; chloride

hexadecyldimethylethylammonium bromide

Refernces

• 1、 De, Soma,Aswal, Vinod K.,Goyal, Prem S.,Bhattacharya, Santanu. "Role of Spacer Chain Length in Dimeric Micellar Organization. Small Angle Neutron Scattering and Fluorescence Studies". . p. 11664 - 11671. Retrieved 1996.
• 2、 Barran-Berdon, Ana L.,Misra, Santosh K.,Datta, Sougata,Munoz-Ubeda, Monica,Kondaiah, Paturu,Junquera, Elena,Bhattacharya, Santanu,Aicart, Emilio. "Cationic gemini lipids containing polyoxyethylene spacers as improved transfecting agents of plasmid DNA in cancer cells". . p. 4640 - 4652. Retrieved 2014.
• 3、 -. "End group type macromolecular quaternary ammonium salt and preparation method thereof". Paragraph 0018. . Retrieved 2019/03/29.
• 4、 Zhang, Ting,Cao, Xianfei,Wang, Xuchun,Song, Changchun. "Synthesis, surface activity and thermodynamic properties of cationic gemini surfactants with diester and rigid spacers". . p. 505 - 510. Retrieved 2017/02/05.