Benzyltrimethylammonium hydroxide solution - 25% in water , CAS No.100-85-6

CAS: 100-85-6 Cat. No.: B104502 Peso molecular: 167.25 Beilstein Registry Number: 3917256 Número EC: 202-895-5

GRADE & PURITY 25% in water

Synonyms

A800289 | Benzenemethanaminium, N,N,N-trimethyl-, hydroxide | BP-20381 | B0428 | NCGC00257520-01 | trimethyl-(phenylmethyl)azanium hydroxide | N,N,N-Trimethyl-1-phenylmethanaminium hydroxide | Q4890825 | Benzyltrimethylammonium Hydroxide 40% Methanol | tr

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

A800289 | Benzenemethanaminium, N, N, N-trimethyl-, hydroxide | BP-20381 | B0428 | NCGC00257520-01 | trimethyl-(phenylmethyl)azanium hydroxide | N, N, N-Trimethyl-1-phenylmethanaminium hydroxide | Q4890825 | Benzyltrimethylammonium Hydroxide 40% Methanol | tr

Especificaciones y pureza

25% in water

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 488183866
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183866
• Sonrisas canónicas: C[N+](C)(C)CC1=CC=CC=C1.[OH-]
• IUPAC Name: benzyl(trimethyl)azanium;hydroxide
• InChIKey: NDKBVBUGCNGSJJ-UHFFFAOYSA-M
• INCHI: 1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1
• Isómeros SMILES: C[N+](C)(C)CC1=CC=CC=C1.[OH-]
• WGK Alemania: 3
• Número ONU: 3267
• Grupo de embalaje: II
• Peso molecular: 167.25
• Beilstein: 3917256
• Reaxy-Rn: 3917256
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917256&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic hydroxide - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air and CO2 sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°F): 51.8 °F
• Punto de inflamación (°C): 15°C
• Punto de ebullición (°C): 65°
• Peso molecular: 167.250 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 167.131 Da
• Monoisotopic Mass: 167.131 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 107.000
• 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: 2

XLogP3

Referencias

1. Junfang Zhu, Bo Li.  (2023)  Synthesis and characterization of a surface imprinting silica gel polymer for the resolution of tetrahydropalmatine enantiomers.  Separation Science Plus,  7  (1): (2300136).  [PMID:] [10.1002/sscp.202300136]

2. Chao Ma, Xiaona Liu, Yang Hong, Nana Yan, Chenyang Nie, Jing Wang, Peng Guo, Zhongmin Liu.  (2023)  Fluoride- and Seed-Free Synthesis of Pure-Silica Zeolite Adsorbent and Matrix Using OSDA-Mismatch Approach.  Journal of the American Chemical Society,      [PMID:37877469] [10.1021/jacs.3c08484]

3. Dongmei Lei, Yunchao Xiao, Leihou Shao, Man Xi, Yang Jiang, Yi Li.  (2023)  Dual-Stimuli-Responsive and Anti-Freezing Conductive Ionic Hydrogels for Smart Wearable Devices and Optical Display Devices.  ACS Applied Materials & Interfaces,      [PMID:37186879] [10.1021/acsami.3c03920]

4. Shuaiqi Wang, Congxin Wang, Hao Liu, Donge Wang, Xiaoping Wang, Lin Yang, Peng Li, Zhijian Tian.  (2022)  Branched growth of ZSM-12 zeolite on seeds.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2022.112364]

5. Jinlei Zeng, Yue Yang, Yibo Tang, Xu Xu, Xu Chen, Ganlu Li, Kequan Chen, Hui Li, Pingkai Ouyang, Weimin Tan, Jianjun Ma, Yaozong Liu, Ruiyuan Liang.  (2022)  Synthesis, Monomer Removal, Modification, and Coating Performances of Biobased Pentamethylene Diisocyanate Isocyanurate Trimers.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.1c04673]

6. Liu Jun-bo, Chang Hanqi, Zhao Wensi, Liang Dadong, Tang Shanshan, Jin Ruifa.  (2021)  Theoretical design and preparation of molecularly imprinted polymers of formaldehyde and acrylamide.  JOURNAL OF POLYMER RESEARCH,  28  (11): (1-10).  [PMID:] [10.1007/s10965-021-02724-6]

7. Qinglong Luo, Yinqiu Wang, Liang Li, Xueli Huang, Zhongfu Cheng, Xueying Wang, Long He.  (2021)  Hydrothermal synthesis of hydroxyl terminated polymer boron adsorbents.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2021.121977]

8. Junbo Liu, Wensi Zhao, Guangyu Wang, Shanshan Tang, Ruifa Jin.  (2020)  Simulation of a phenobarbital molecularly imprinted polymerization self-assembly system and its adsorption property.  Analytical Methods,  12  (6): (813-821).  [PMID:] [10.1039/C9AY02539A]

9. Liu Junbo, Zhao Wensi, Tang Shanshan, Jin Ruifa.  (2019)  Theoretical Design and Adsorption Properties of Molecularly Imprinted Polymers Obtained from Chloramphenicol and Acrylamide.  CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,  36  (5): (915-920).  [PMID:] [10.1007/s40242-019-9267-2]

10. Jun-Bo Liu, Guang-Yu Wang, Shan-Shan Tang, Qian Gao, Da-Dong Liang, Rui-Fa Jin.  (2018)  Theoretical and experimental research on self-assembly system of molecularly imprinted polymers formed via chloramphenicol and methacrylic acid.  JOURNAL OF SEPARATION SCIENCE,  42  (3): (769-777).  [PMID:30488565] [10.1002/jssc.201800997]

11. Chunxia Lu, Zonggui Tang, Changbin Liu, Xiaomei Ma.  (2018)  Surface molecularly imprinted polymers prepared by two-step precipitation polymerization for the selective extraction of oleanolic acid from grape pomace extract.  JOURNAL OF SEPARATION SCIENCE,  41  (17): (3496-3502).  [PMID:30027558] [10.1002/jssc.201800474]

12. Yunyun Wang, Jixiang Wang, Rujia Cheng, Lin Sun, Xiaohui Dai, Yongsheng Yan.  (2018)  Synthesis of molecularly imprinted dye-silica nanocomposites with high selectivity and sensitivity: Fluorescent imprinted sensor for rapid and efficient detection of τ-fluvalinate in vodka.  JOURNAL OF SEPARATION SCIENCE,  41  (8): (1880-1887).  [PMID:29389060] [10.1002/jssc.201701142]

13. Ziyang Lu, Zehui Yu, Jinbo Dong, Minshan Song, Yang Liu, Xinlin Liu, Di Fan, Zhongfei Ma, Yongsheng Yan, Pengwei Huo.  (2017)  Construction of stable core–shell imprinted Ag-(poly-o-phenylenediamine)/CoFe2O4 photocatalyst endowed with the specific recognition capability for selective photodegradation of ciprofloxacin.  RSC Advances,  7  (77): (48894-48903).  [PMID:] [10.1039/C7RA09835A]

14. Hu Jin, Zhang Xinya.  (2017)  Catalytic selectivity and process optimization of the trimerization of toluene diisocyanate.  JOURNAL OF MATERIALS SCIENCE,  52  (20): (12524-12539).  [PMID:] [10.1007/s10853-017-1372-3]

15. Wang Jixiang, Wang Yunyun, Qiu Hao, Sun Lin, Dai Xiaohui, Pan Jianming, Yan Yongsheng.  (2017)  A Novel Sensitive Luminescence Probe Microspheres for Rapid and Efficient Detection of τ-Fluvalinate in Taihu Lake.  Scientific Reports,  7  (1): (1-11).  [PMID:28485402] [10.1038/srep46635]

16. Xiuying Liu, Lijie Zhu, Xue Gao, Yuxin Wang, Haixia Lu, Yiwei Tang, Jianrong Li.  (2016)  Magnetic molecularly imprinted polymers for spectrophotometric quantification of curcumin in food.  FOOD CHEMISTRY,      [PMID:26920299] [10.1016/j.foodchem.2016.02.015]

17. Li Lu, Lin Zheng-zhong, Chen Xiao-mei, Zhang Hong-yuan, Lin Yi-dong, Lai Zhu-zhi, Huang Zhi-yong.  (2015)  Molecularly imprinted polymers for extraction of malachite green from fish samples prior to its determination by HPLC.  MICROCHIMICA ACTA,  182  (9): (1791-1796).  [PMID:] [10.1007/s00604-015-1513-9]

18. Ziyang Lu, Yingying Luo, Ming He, Pengwei Huo, Tingting Chen, Weidong Shi, Yongsheng Yan, Jianming Pan, Zhongfei Ma, Siyu Yang.  (2013)  Preparation and performance of a novel magnetic conductive imprinted photocatalyst for selective photodegradation of antibiotic solution.  RSC Advances,  3  (40): (18373-18382).  [PMID:] [10.1039/C3RA42738B]

19. Junyao Shen, Xinyi Gao, Wenze Guo, Jie Jiang, Jin-Jin Li, Ling Zhao, Zhenhao Xi, Weikang Yuan.  (2024)  Mechanism Study on Synthesis of Biobased Polycarbonate from Diphenyl Carbonate and Isosorbide with Metal-Free Catalysts by Identifying Reactivity of endo-OH and exo-OH.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c00310]

20. Tian Zhao, Yalin Zhao, Zhicong Miao, Tao Wang, Rongjin Huang, Laifeng Li.  (2024)  Synthesis and cryogenic mechanical properties of degradable epoxy resins containing hexahydro-s-triazine structure.  CRYOGENICS,      [PMID:] [10.1016/j.cryogenics.2024.103883]

21. Wanxin Zhang, Yujie Chen, Zhe Song, Zhonghui Zhang, Bo Wu, Bin Di, Mengxiang Su.  (2025)  Preparation of two functionalized magnetic carboxylated multiwalled carbon nanotubes for the extraction of eleven synthetic cannabinoids in wastewater followed by UPLC-MS/MS.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.115476]