3-(N,N-Dimethylmyristylammonio)propanesulfonate - ≥98% , CAS No.14933-09-6

CAS: 14933-09-6 Cat. No.: M105324 Molecular Weight: 363.6 Beilstein Registry Number: 6419727 EC Number: 239-003-9

GRADE & PURITY ≥98%

Synonyms

N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate | 3-(N,N-Dimethylmyristylammonio)propanesulfonate | Myristyl sulfobetaine | 3-(Dimethyl(tetradecyl)ammonio)propane-1-sulfonate | Zwittergent 3-14 | 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate

Storage

Room temperature

Shipped In

Normal

Overview

3-(N,N-Dimethylmyristylammonio)propanesulfonate is a zwitterionic surfactant used in various electrostatic ion chromatography techniques.
3-(N,N-Dimethylmyristylammonio)propanesulfonate has been used in a study to assess a method for quantifying perchlorate in biological samples using CE and capacitively coupled contactless conductivity detection.It has also been used in a study to investigate an approach for establishing adsorbents for elimination of water-soluble organic dyes.

Specifications

Synonyms

N-Tetradecyl-N, N-dimethyl-3-ammonio-1-propanesulfonate | 3-(N, N-Dimethylmyristylammonio)propanesulfonate | Myristyl sulfobetaine | 3-(Dimethyl(tetradecyl)ammonio)propane-1-sulfonate | Zwittergent 3-14 | 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186274
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186274
• Canonical Smiles: CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• IUPAC Name: 3-[dimethyl(tetradecyl)azaniumyl]propane-1-sulfonate
• InChIKey: BHATUINFZWUDIX-UHFFFAOYSA-N
• INCHI: 1S/C19H41NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20(2,3)18-16-19-24(21,22)23/h4-19H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• WGK Germany: 3
• Molecular Weight: 363.6
• Beilstein: 6419727
• Reaxy-Rn: 6419727
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6419727&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Tetraalkylammonium salts Sulfonyls Alkanesulfonic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: organosulfonic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Moistrue
• Flash Point(°F): 110 °C
• Flash Point(°C): 110°C
• Melt Point(°C): 247°C
• Molecular Weight: 363.600 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 363.281 Da
• Monoisotopic Mass: 363.281 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 361.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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5. Hualin Zheng, Ting Zhang, Yafei Wang, Canzhou Li, Zhenhuang Su, Ze Wang, Hao Chen, Shihao Yuan, Yiding Gu, Long Ji, Jian Li, Shibin Li.  (2021)  Zwitterion-Assisted Crystal Growth of 2D Perovskites with Unfavorable Phase Suppression for High-Performance Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:34963289] [10.1021/acsami.1c19263]

6. Yanqing Zu, Jun Xi, Lu Li, Jinfei Dai, Shuangpeng Wang, Feng Yun, Bo Jiao, Hua Dong, Xun Hou, Zhaoxin Wu.  (2019)  High-Brightness and Color-Tunable FAPbBr3 Perovskite Nanocrystals 2.0 Enable Ultrapure Green Luminescence for Achieving Recommendation 2020 Displays.  ACS Applied Materials & Interfaces,      [PMID:31865697] [10.1021/acsami.9b18140]

7. Liang Jin-Jin, Li Yun-Hui, Liu Fei, Li Hong-Ye, Liu Jie-Sheng, Yang Wei-Dong.  (2015)  Experimental removal of Alexandrium tamarense cells using sulfobetaines and their modified clays.  JOURNAL OF APPLIED PHYCOLOGY,  27  (6): (2313-2319).  [PMID:] [10.1007/s10811-014-0482-4]

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