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Trimethylamine oxide

Trimethylamine oxide structure

CAS No:
1184-78-7
Formula:
C3H9NO
Chemical Name:
Trimethylamine oxide
Synonyms:
Methanamine,N,N-dimethyl-,N-oxide;Trimethylamine,N-oxide;TMAO;Trimethylamine oxide;Triox;N,N-Dimethylmethanamine N-oxide;NSC 408426

Description

Solid

Solid|Colourless to yellow solid; Odourless

Trimethylamine N-oxide is a tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine. It has a role as an osmolyte, a metabolite and an Escherichia coli metabolite. It derives from a trimethylamine. It is a conjugate base of a hydroxytrimethylaminium.

Trimethylamine oxide Basic Attributes

Molecular Weight：

75.110

Exact Mass：

75.11

EC Number：

214-675-6

UNII：

FLD0K1SJ1A

NSC Number：

408426

DSSTox ID：

DTXSID8049678

HScode：

2921110090

Characteristics

PSA：

29.43000

XLogP3：

-2.57

Appearance：

Solid

Density：

0.9301 (rough estimate)

Melting Point：

208 °C

Boiling Point：

133.8°C (rough estimate)

Refractive Index：

1.4698 (estimate)

Water Solubility：

454 mg/mL

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (37.1%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 62 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Electron-accepting molecules in chemical reactions in which electrons are transferred from one molecule to another (OXIDATION-REDUCTION). (See all compounds classified as Oxidants.)

MeSH Entry Terms：

TMAO

Trimethylamine oxide Use and Manufacturing

Manufacturing Info：

Methanamine, N,N-dimethyl-, N-oxide: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:75.11
XLogP3:-0.3
Hydrogen Bond Acceptor Count:1
Exact Mass:75.068413911
Monoisotopic Mass:75.068413911
Topological Polar Surface Area:18.1
Heavy Atom Count:5
Complexity:28.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

Bismuth lead ruthenium oxide (Bi2Pb2Ru4O13)

11116-83-9
Bismuth zirconium oxide (Bi2Zr3O9)

12048-52-1
Calcium iron oxide (Ca2Fe2O5)

12013-62-6
Aluminum zinc oxide (Al2ZnO4) Formula

12068-53-0
Antimony lead oxide (Sb2PbO4) Formula

16450-50-3
Ammonium tungsten oxide ((NH4)2W4O13) Formula

12398-61-7
Cerium zirconium oxide (Ce2Zr2O7) Structure

12157-80-1
Cerium oxide sulfide (Ce2O2S) Structure

12442-45-4
What is Magnesium titanium oxide (Mg2TiO4)

12032-52-9
What is Lead niobium oxide (PbNb2O6)

12034-88-7

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Guide of Trimethylamine oxide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Trimethylamine oxide

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