Sulfobetaine 8 - ≥98% , CAS No.15178-76-4

CAS: 15178-76-4 Cat. No.: S110923 Molecular Weight: 279.43 Beilstein Registry Number: 3962489 EC Number: 626-362-5 PubChem CID: 3084219

GRADE & PURITY ≥98%

Synonyms

3-[DIMETHYL(OCTYL)AMMONIO]PROPANE-1-SULFONATE | J-008850 | Q27453730 | 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate | 3-(N,N-Dimethyloctcylammonio)propanesulfonate inner salt | 3-(Dimethyl-octylazaniumyl)propane-1-sulfonate | 3-(dimethyloctylazaniumyl)

Storage

Room temperature

Shipped In

Normal

Overview

application：

3-(N,N-Dimethyloctylammonio)propanesulfonate has been used in a study to assess correlations between surrogate nitrogenous organic precursors and C-, N-DBP formation. It has also been used in a study to investigate DNA binding site discrimination. Zwitterionic detergent; mild solubilizer of plasma membranes.

Specifications

Synonyms

3-[DIMETHYL(OCTYL)AMMONIO]PROPANE-1-SULFONATE | J-008850 | Q27453730 | 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate | 3-(N, N-Dimethyloctcylammonio)propanesulfonate inner salt | 3-(Dimethyl-octylazaniumyl)propane-1-sulfonate | 3-(dimethyloctylazaniumyl)

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194267
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194267
• Canonical Smiles: CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• IUPAC Name: 3-[dimethyl(octyl)azaniumyl]propane-1-sulfonate
• InChIKey: QZRAABPTWGFNIU-UHFFFAOYSA-N
• INCHI: 1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
• Isomeric SMILES: CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
• WGK Germany: 3
• PubChem CID: 3084219
• Molecular Weight: 279.43
• Beilstein: 3962489

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 Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Amine - Organic cation - 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: Not available

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

• Melt Point(°C): 205 °C
• Molecular Weight: 279.440 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 279.187 Da
• Monoisotopic Mass: 279.187 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 281.000
• 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

1. Jiuyun Cui, Yibo Zhang, Yusong Pan, Jianjun Li, Atian Xie, Changguo Xue, Jianming Pan.  (2023)  Preparation of antifouling zwitterion PVDF-imprinted composite membranes for selective antibiotic and oil/water emulsion separation.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2023.105580]

2. 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]

3. 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]

4. Zhen-Yu Ma, Bai-Sheng Zhu, Xue-Chen Ru, Yi-Chen Yin, Li-Zhe Feng, Guan-Jie Ding, Mei-Yu Zhou, Yong-Hui Song, Hong-Min Zhou, Cheng-Ming Wang, Jing-Ming Hao, Hong-Bin Yao.  (2024)  High-Quality γ-CsPbI3 Cuboid Crystallites Grown by Amorphous-Complex Conversion for Efficient and Bright Deep-Red Light-Emitting Diodes.  Advanced Optical Materials,  12  (22): (2400722).  [PMID:] [10.1002/adom.202400722]

5. Zhenyu Zhao, Ruihuan Ding, Yumei Wang, Ranran Yuan, Houqian Zhang, Tianyang Li, Wei Zheng, Entao Chen, Aiping Wang, Yanan Shi.  (2024)  Sulfobetaine modification of poly (D, L-lactide-co-glycolic acid) nanoparticles enhances mucus permeability and improves bioavailability of orally delivered liraglutide.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2024.105437]

6. Jing-Ming Hao, Zhen-Yu Ma, Yong-Hui Song, Ya-Lan Hu, Guan-Jie Ding, Sami Ur Rahman, Yi-Chen Yin, Bai-Sheng Zhu, Cheng-Ming Wang, Zhi Zhao, Min Ge, Hong-Bin Yao.  (2025)  Ultra-Bright Green Perovskite Light-Emitting Diodes Enabled by Silicon Oxide-Modified Zinc Oxide Electron Transport Layer.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202501235]

7. Yuting Bai, Wenxin Tang, Zunxian Yang, Yue Chen, Luxi Yuan, Jie Li, Xudong Jiang, Jiajie Hong, Benfang Liu, Zheyu Zhou, Runsen Yu, Wenxin Zhang, Shangwei Ye, Zhiqian Wei, Zhezhou Fang, Jinzhu Gao, Zhiyu Yuan, Shunchang Cheng, Yuhan Meng, Zhiqi Lin, Tailiang Guo, Zhenzhen Weng, Yongyi Chen.  (2026)  Insights into ligand passivation strategies for multiple types of surface defects in high-performance perovskite quantum dot light-emitting diodes.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D5TC04380H]