[3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium

Base Information

• Chemical Name: [3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium
• CAS No.: 61792-31-2
• Deprecated CAS: 1108235-10-4,1135978-87-8,1252036-95-5,228113-46-0
• Molecular Formula: C17H36N2O2
• Molecular Weight: 300.485
• UNII: I6KX160QTV
• DSSTox Substance ID: DTXSID6052297
• Nikkaji Number: J877.256H
• Wikidata: Q27092898
• Metabolomics Workbench ID: 146371
• Mol file: 61792-31-2.mol

Synonyms:lauramidopropyl dimethylamine oxide;[3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM;Laurylamidopropyldimethylamine oxide;3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE;Softazoline LAO;cocoamidopropyldimethyl amine oxide;MACKAMINE LAO;SCHEMBL422872;DTXSID6052297;LAPAO, >=95% (HPLC);AKOS040744648;DB01736;LAURAMIDOPROPYLAMINE OXIDE [INCI];DODECYLAMIDOPROPYLDIMETHYLAMINE OXIDE;3-LAURAMMIDOPROPYL-N,N-DIMETHYLAMINE OXIDE;Q27092898

Chemical Property of [3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium

Chemical Property:

• Vapor Pressure: 0.002-0.006Pa at 20-25℃
• Melting Point: 119-122 °C
• Refractive Index: 1.474
• PKA: 15.91±0.46(Predicted)
• Flash Point: >100℃
• PSA: 58.53000
• Density: 1.06g/cm3 at 20℃
• LogP: 4.39960
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 300.277678395
• Heavy Atom Count: 21
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

LAPAO ≥95% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
• Use Description: LAPAO, or Linear Alkylbenzene Sulfonic Acid Oleum, is a chemical compound with various applications in different fields. In the field of detergents and household cleaning products, LAPAO is used as a surfactant and cleaning agent, playing a pivotal role in the formulation of laundry detergents, dishwashing liquids, and all-purpose cleaners. Its ability to emulsify and remove dirt and grease makes it essential for effective cleaning. Additionally, in the petrochemical industry, it can be employed as a catalyst and reagent in chemical processes for the production of specialty chemicals and petroleum refining. Furthermore, in academic and industrial laboratories, LAPAO can serve as a reference compound for studying sulfonic acids and their reactions, contributing to the advancement of chemical research and understanding. Its multifaceted utility underscores its significance in maintaining cleanliness, chemical manufacturing, and scientific investigation, where it plays a crucial role in cleaning, chemical synthesis, and chemical analysis.

Technology Process of [3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium

There total 2 articles about [3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium 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%

lauric acid dimethylaminopropylamide (3179-80-4) → 3-dodecanamido-N,N-dimethylpropan-1-amine oxide (61792-31-2)

Guidance literature:

With dihydrogen peroxide; In ethanol; at 50 ℃; for 24h;

DOI:10.1016/j.jfluchem.2021.109793

Reference yield:

n-dodecanoyl chloride (112-16-3) + 1-amino-3-(dimethylamino)propane (109-55-7) → 3-dodecanamido-N,N-dimethylpropan-1-amine oxide (61792-31-2)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform / 24 h / 20 °C

2: dihydrogen peroxide / ethanol / 24 h / 50 °C

With dihydrogen peroxide; In ethanol; chloroform;

DOI:10.1016/j.jfluchem.2021.109793

upstream raw materials:

lauric acid dimethylaminopropylamide

n-dodecanoyl chloride

1-amino-3-(dimethylamino)propane