ChemicalBook--->CAS DataBase List--->62637-93-8

62637-93-8

62637-93-8 Structure

62637-93-8 Structure
IdentificationMore
[Name]

Trimethylamine N-oxide dihydrate
[CAS]

62637-93-8
[Synonyms]

TMO
TRIMETHYLAMINE N-OXIDE DIHYDRATE
TRIMETHYLAMINE OXIDE DIHYDRATE
methanamineoxide,n,n-dimethyl,dihydrate
n,n-dimethylmethanamineoxide,dihydrate
trimethylammoniumoxidhydrat
TMANO
TrimethylamineN-oxidedihydrate,98%
TRIMETHYLAMINE N-OXIDE DIHYDRA
Trimethylamine N-Oxide-D9
Methanamine, N,N-dimethyl-, N-oxide, dihydrate
Trimethylamine-N-oxide 2-hydrate
[EINECS(EC#)]

214-675-6
[Molecular Formula]

C3H13NO3
[MDL Number]

MFCD00149077
[Molecular Weight]

111.14
[MOL File]

62637-93-8.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

95-99 °C(lit.)
[Fp ]

95 °C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Sparingly)
[form ]

Fine Crystalline Powder
[color ]

White to off-white
[Water Solubility ]

Soluble in water, ethanol, dimethyl sulfoxide and methanol. Sparingly soluble in hot chloroform. Insoluble in diethyl ether, benzene and hydrocarbon solvents.
[Detection Methods]

T,NMR
[Merck ]

14,9710
[BRN ]

3612927
[Cosmetics Ingredients Functions]

FRAGRANCE
HUMECTANT
[InChI]

InChI=1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2
[InChIKey]

PGFPZGKEDZGJQZ-UHFFFAOYSA-N
[SMILES]

[N+]([O-])(C)(C)C.O.O
[CAS DataBase Reference]

62637-93-8(CAS DataBase Reference)
[Storage Precautions]

Moisture sensitive
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/38:Irritating to eyes and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

YH2850000
[F ]

4.10
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29211990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Trimethylamine N-oxide dihydrate(62637-93-8).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

Oxidizing reagent in organic synthesis.
[Uses]

Trimethylamine N-Oxide Dihydrate is as an oxygen transfer agent used to promote heterometallic cluster catalyzing coordinative hydrogenation. Trimethylamine N-Oxide Dihydrate is also used as a catalyst in the preparation of thermally stable TiO2 nanorod incorporated polymers and semiconductor/metal nanocomposites.
[General Description]

Trimethylamine N-oxide (TMAO) is an amphiphilic osmolyte that can counteract the denaturing effects of urea, pressure, and ice and stabilize the proteins.
[reaction suitability]

reagent type: oxidant
[in vivo]

Trimethylamine N-oxide (TMAO) dihydrate contributes to cardiovascular diseases by promoting inflammatory responses. C57BL/6 mice are fed a normal diet, high-choline diet and/or 3-dimethyl-1-butanol (DMB) diet. The levels of Trimethylamine N-oxide dihydrate and choline are increased in choline-fed mice. Left ventricular hypertrophy, pulmonary congestion, and diastolic dysfunction are markedly exacerbated in heart failure with preserved ejection fraction (HFpEF) mice fed high-choline diets compared with mice fed the control diet. Myocardial fibrosis and inflammation were markedly increased in HFpEF mice fed high-choline diets compared with animals fed the control diet[1].
Trimethylamine N-oxide (dihydrate) can be used in animal modeling to construct models of cardiovascular and metabolic diseases[1].

Induction of cardiovascular and metabolic diseases
Background
Trimethylamine N-oxide (dihydrate) stimulated cardiac hypertrophy, as indicated by increased cell area of cardiomyocytes and expression of hypertrophic markers including atrial natriuretic peptide (ANP) and beta-myosin heavy chain (β-MHC). Additionally, Trimethylamine N-oxide (dihydrate) induced cardiac hypertrophy and cardiac fibrosis in SD rats[2].
Specific Mmodeling Methods
Rats: Wistar? male? weighing 200-250 g[1]
Administration: 100 μM and 1 mM? perfusion or incubation in TMAO-containing buffer solution? incubated for 1 h[1]
Mice: CD-1? male? weighing 25-30 g? 6-8 weeks of age[1]
Administration: 120 mg/kg? mixed with drinking water? a single dose or daily for 7 days[1]
Note
(1)Rat hearts were perfused, and aortic rings from each experimental animal were immersed in K+-H+ buffer solution with or without the addition of Trimethylamine N-oxide (dihydrate) (100 μM final concentration). After 1 h of perfusion or incubation, the tissue samples were washed to eliminate the residues of TMAO-containing buffer solution and further homogenized with water in an OMNI Bead Ruptor 24 at a w/v ratio of 1:10[1].
(2)All experimental animals were housed under standard conditions (21-23℃, 12-hour light/dark cycle, relative humidity 45-65%) with unlimited access to food (R70 diet) and water[1].
(3)The mice from the first experimental group received Isoproterenol (HY-B1670A) at a dose of 10 μg/mouse, but the animals from the second group received Isoproterenol (HY-B1670A) and Trimethylamine N-oxide (dihydrate) at doses of 10 μg/mouse and 120 mg/kg, respectively. After 30 min, the experimental animals were anesthetized with isoflurane once more to record the cardiac response to acute cardiac stress and the impact of Trimethylamine N-oxide (dihydrate) on the inotropic and chronotropic effects. For the next seven days, the mice in the second group received Trimethylamine N-oxide (dihydrate) together with drinking water at a dose of 120 mg/kg, while the animals from the first group received pure drinking water[1].
Modeling Indicators
Molecular changes: The addition of 100 μM Trimethylamine N-oxide (dihydrate) to the buffer solution increased the content of Trimethylamine N-oxide (dihydrate) in cardiac tissue by three and in the aortic rings by two points five times[1].
Pathology change: Trimethylamine N-oxide (dihydrate) had no influence on Isoproterenol (HY-B1670A)-induced increase on left ventricular ejection fraction, fractional shortening and heart rate[1].
Histological analysis: Promote myocardial hypertrophy, fibrosis, and inflammation in a model of cardiovascular disease (CVD)[3].
Correlated Product(s):Isoproterenol (HY-B1670A)
3,3-dimethyl-1-butanol (HY-W012977)

[IC 50]

Human Endogenous Metabolite; NLRP3; Microbial Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

Trimethylamine N-oxide dihydrate(62637-93-8)1HNMR
Trimethylamine N-oxide dihydrate(62637-93-8)Raman
Trimethylamine N-oxide dihydrate(62637-93-8)IR
Trimethylamine N-oxide dihydrate(62637-93-8)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Trimethylamine N-oxide dihydrate, 98%(62637-93-8)
[Alfa Aesar]

Trimethylamine N-oxide dihydrate, 98+%(62637-93-8)
[Sigma Aldrich]

62637-93-8(sigmaaldrich)
[TCI AMERICA]

Trimethylamine N-Oxide  Dihydrate,>98.0%(T)(62637-93-8)
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