Trimethylamine N-oxide

• CAS: 1184-78-7
• Catalog Number: ACM1184787
• Category: Other Products
• Molecular Weight: 75.11
• Molecular Formula: C3H9NO
• Description: TMAO (TMAO) is the organic compound in the class of amine oxides with the formula (CH3)3NO. This colorless solid is usually encountered as the dihydrate. It is a product of the oxidation of trimethylamine and a common metabolite in animals. It is an osmolyte found in saltwater fish, sharks, rays, molluscs, and crustaceans. It is a protein stabilizer that may serve to counteract urea, the major osmolyte of sharks, skates and rays. It is also higher in deep-sea fishes and crustaceans, where it may counteract the protein-destabilizing effects of pressure. TMAO decomposes to trimethylamine (TMA), which is the main odorant that is characteristic of degrading seafood.
• Synonyms: Trimethyloxamine
• IUPAC Name: N,N-Dimethylmethanamine oxide
• Canonical SMILES: C[N+](C)(C)[O-]
• InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
• InChI Key: UYPYRKYUKCHHIB-UHFFFAOYSA-N
• Boiling Point: 133.8 °C
• Melting Point: 220-222 °C(lit.)
• Density: 0.9301 g/cm³
• Solubility: Soluble in water
• Appearance: Pale yellow solid
• Storage: Hygroscopic, room temperature, under inert atmosphere
• Complexity: 28.4
• EC Number: 214-675-6
• Exact Mass: 75.068413911
• Hazard Codes: Xi
• HS Code: 2921110090
• LogP: 0.21130
• MDL Number: MFCD00002048
• Monoisotopic Mass: 75.068413911
• pKa: 4.65(at 25 °C)
• PSA: 29.43
• Refractive Index: 1.4698
• Topological Polar Surface Area: 18.1 Ų