Trimethylamine N-Oxide Dihydrate - ≥98%(T) , CAS No.62637-93-8

CAS: 62637-93-8 Cat. No.: T162063 Molecular Weight: 111.14 EC Number: 678-501-4 PubChem CID: 198430

GRADE & PURITY ≥98%(T)

Synonyms

Q27275274 | N,N-Dimethylmethanamine oxide, dihydrate | TMANO Dihydrate | C73WZ0186W | trimethylamineoxidedihydrate | UNII-C73WZ0186W | PGFPZGKEDZGJQZ-UHFFFAOYSA-N | Trimethylammoniumoxid hydrat | trimethylamine oxide dihydrate | Trimethylamine oxide, dihy

Storage

Room temperature

Shipped In

Normal

Overview

Trimethylamine N-oxide (TMAO) is an amphiphilic osmolyte that can counteract the denaturing effects of urea, pressure, and ice and stabilize the proteins.
Reactant for: · C-H bond cleavage · Oxidation reactions (oxidant) · Decarbonylating agent for solvent-free reactions Trimethylamine N-oxide dihydrate can react with transition-metal carbonyl cluster compounds and activate CO displacement by converting CO ligands into carbon dioxide.

Specifications

Synonyms

Q27275274 | N, N-Dimethylmethanamine oxide, dihydrate | TMANO Dihydrate | C73WZ0186W | trimethylamineoxidedihydrate | UNII-C73WZ0186W | PGFPZGKEDZGJQZ-UHFFFAOYSA-N | Trimethylammoniumoxid hydrat | trimethylamine oxide dihydrate | Trimethylamine oxide, dihy

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Action Type

ACTIVATOR

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488188591
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188591
• Canonical Smiles: C[N+](C)(C)[O-].O.O
• IUPAC Name: N,N-dimethylmethanamine oxide;dihydrate
• InChIKey: PGFPZGKEDZGJQZ-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2
• Isomeric SMILES: C[N+](C)(C)[O-].O.O
• PubChem CID: 198430
• Molecular Weight: 111.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Aminoxides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Aminoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkyl amine oxides
• Alternative Parents: Trisubstituted amine oxides and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl amine oxide - Trisubstituted n-oxide - N-oxide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkyl amine oxides. These are hydrocarbyl derivatives of the aminoxide anion, with the general formula R3N+[O-] or R3N=O, where R is an alkyl group.
• 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

• Solubility: Soluble in water, ethanol, dimethyl sulfoxide and methanol. Sparingly soluble in hot chloroform. Insoluble in diethyl ether, benzene and hydrocarbon solvents.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 96-101°C
• Molecular Weight: 111.140 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 111.09 Da
• Monoisotopic Mass: 111.09 Da
• Topological Polar Surface Area: 20.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 28.400
• 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: 3

XLogP3

References

1. Lu Bai, Jing Dai, Yuxuan Xia, Kaichuan He, Hongmei Xue, Qi Guo, Danyang Tian, Lin Xiao, Xiangjian Zhang, Xu Teng, Yuming Wu, Sheng Jin.  (2022)  Hydrogen Sulfide Ameliorated High Choline-Induced Cardiac Dysfunction by Inhibiting cGAS-STING-NLRP3 Inflammasome Pathway.  Oxidative Medicine and Cellular Longevity,      [PMID:35910846] [10.1155/2022/1392896]

2. Jun Zhang, Jiang-ping Tu, Gao-hui Du, Zi-min Dong, Yi-shan Wu, Ling Chang, Dong Xie, Guo-fa Cai, Xiu-li Wang.  (2013)  Ultra-thin WO3 nanorod embedded polyaniline composite thin film: Synthesis and electrochromic characteristics.  SOLAR ENERGY MATERIALS AND SOLAR CELLS,      [PMID:] [10.1016/j.solmat.2013.02.025]

3. Yuming Huang, Lin Liu, Hang Yang, Huixuan Yi, Xiangyu Li, Linqian Li, Dawei Lu, Qian Liu, Guibin Jiang.  (2024)  Endogenous formation of Fe-bearing particles and their differentiation from exogenous exposure.  Journal of Environmental Sciences,      [PMID:] [10.1016/j.jes.2024.11.008]

4. Xiaoyun Yang, Yi Wang, Yujin Feng, Feng Wang, Lijuan Gao, Yueheng Wang.  (2025)  Trimethylamine oxide promotes myocardial fibrosis through activating JAK2-STAT3 pathway.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:39889626] [10.1016/j.bbrc.2025.151390]