Trimethylamine N-Oxide Anhydrous - ≥95%(T) , CAS No.1184-78-7

CAS: 1184-78-7 Cat. No.: T162064 Molecular Weight: 75.11 EC Number: 214-675-6 PubChem CID: 1145

GRADE & PURITY ≥95%(T)

Synonyms

Trimethylamine oxide | NSC 408426 | MFCD00002048 | Trimethlamine-N-oxide | Triox | CHEBI:15724 | EN300-396337 | Trimethylamine, N-oxide (8CI) | A803941 | Trimethylamine, N-oxide | Trimethylaminoxid | NSC408426 | NSC-408426 | trimethylamine-N-oxide | TRIME

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Trimethylamine N-oxide is an organic compound that belongs to the class of amine oxides. It is generally found in the tissues of marine organisms, wherein it helps protect them from harsh conditions like salinity, hydrostatic pressure, temperature, and high urea.

Demetallation and decarbonylation reagent for organometallic compounds. Mediates the conversion of thiols to disulfides.

Specifications

Synonyms

Trimethylamine oxide | NSC 408426 | MFCD00002048 | Trimethlamine-N-oxide | Triox | CHEBI:15724 | EN300-396337 | Trimethylamine, N-oxide (8CI) | A803941 | Trimethylamine, N-oxide | Trimethylaminoxid | NSC408426 | NSC-408426 | trimethylamine-N-oxide | TRIME

Specifications & Purity

≥95%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Pubchem Sid: 504750470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750470
• Canonical Smiles: C[N+](C)(C)[O-]
• IUPAC Name: N,N-dimethylmethanamine oxide
• InChIKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO/c1-4(2,3)5/h1-3H3
• Isomeric SMILES: C[N+](C)(C)[O-]
• WGK Germany: 3
• PubChem CID: 1145
• Molecular Weight: 75.11
• Reaxy-Rn: 1734787

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: a small molecule

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 and alcohol.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 220-222°C
• Molecular Weight: 75.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 75.0684 Da
• Monoisotopic Mass: 75.0684 Da
• Topological Polar Surface Area: 18.100 Ų
• Heavy Atom Count: 5
• 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: 1

References

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2. Chunxia Shi, Maohua Pei, Yao Wang, Qian Chen, Pan Cao, Luyi Zhang, Jin Guo, Wei Deng, Luwen Wang, Xun Li, Zuojiong Gong.  (2022)  Changes of flavin-containing monooxygenases and trimethylamine-N-oxide may be involved in the promotion of non-alcoholic fatty liver disease by intestinal microbiota metabolite trimethylamine.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:35065293] [10.1016/j.bbrc.2022.01.060]

3. Yadi Liu, Guoxiao Lai, Yinrui Guo, Xiaocui Tang, Ou Shuai, Yizhen Xie, Qingping Wu, Diling Chen, Xujiang Yuan.  (2021)  Protective effect of Ganoderma lucidum spore extract in trimethylamine-N-oxide-induced cardiac dysfunction in rats.  JOURNAL OF FOOD SCIENCE,  86  (2): (546-562).  [PMID:33438268] [10.1111/1750-3841.15575]

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15. Tao Ye, Xuandong Kong, Xinhuang Lv, Qiyao Li, Hangqi Jin, Mozi Chen, Jiaming Liu, Ming Zhao.  (2026)  Microbial Metabolite Trimethylamine N-Oxide Exacerbated Microglial-Mediated Neuroinflammation in Hemorrhagic Stroke.  Journal of Stroke & Cerebrovascular Diseases,      [PMID:41786258] [10.1016/j.jstrokecerebrovasdis.2026.108603]