N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

Base Information

• Chemical Name: N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
• CAS No.: 2281-11-0
• Molecular Formula: C21H45 N O3 S
• Molecular Weight: 391.659
• Hs Code.: 29239000
• European Community (EC) Number: 218-918-7
• NSC Number: 628322
• UNII: HAF4AM3VBF
• DSSTox Substance ID: DTXSID70177359
• Wikidata: Q72471151
• ChEMBL ID: CHEMBL1213509
• Mol file: 2281-11-0.mol

Synonyms:3-(N-hexadecyl-N,N-dimethylammonium)propane sulfonate;HDMAPS;N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

Chemical Property of N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

Chemical Property:

• Appearance/Colour: White Solid
• Melting Point: 253-255 ºC
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.58000
• Density: g/cm³
• LogP: 6.56020
• Storage Temp.: 2-8°C
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 391.31201547
• Heavy Atom Count: 26
• Complexity: 389

Purity/Quality:

99.0%Min ^*data from raw suppliers

3-(N,N-Dimethylpalmitylammonio)propanesulfonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• Recent ClinicalTrials: A Study to Compare SB16 (Proposed Denosumab Biosimilar) to Prolia? in Postmenopausal Women With Osteoporosis
• Recent EU Clinical Trials: A Phase III, Randomised, Double-blind, Multicentre Clinical Study to Compare the Efficacy, Safety, Pharmacokinetics, Pharmacodynamics, and Immunogenicity between SB16 (proposed denosumab biosimilar) and Prolia? in Postmenopausal Women with Osteoporosis
• Uses: 3-(N,N-Dimethylpalmitylammonio)propanesulfonate has been used in a study to assess the characterization of rat dihydroceramide desaturase. It has also been used in a study to investigate the inhibition of mitochondrial carnitine–acylcarnitine translocase by sulfobetaines. It is also used for extraction of proteins for analysis by chromatography, mass spectroscopy, and electrophoretic methods.

Technology Process of N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate

There total 2 articles about N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate 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: 95.48%

1,3-propanesultone (1120-71-4) + N,N-dimethylhexadecylamine (112-69-6) → N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (2281-11-0)

Guidance literature:

In acetone; for 12h; Reflux;

DOI:10.1007/s11743-010-1212-9

Reference yield:

→ N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (2281-11-0)

Guidance literature:

γ-Propansulfon, Hexadecyldimethylamin;

DOI:10.1039/dc9755900076

upstream raw materials:

1,3-propanesultone

N,N-dimethylhexadecylamine

Refernces

• 1、 Lucassen. "". . p. 76,79-80. Retrieved 1975.
• 2、 Wieczorek, Daria,Gwiazdowska, Daniela,Staszak, Katarzyna,Chen, Ying-Lien,Shen, Tang-Long. "Surface and Antimicrobial Activity of Sulfobetaines". . p. 813 - 822. Retrieved 2016/07/06.
• 3、 -. "AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE". Page/Page column 40. . Retrieved 2012/12/13.