Trimethylamine N-oxide

C₃H₉NOCAS 1184-78-775.11 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₃H₉NO
Molar mass: 75.11 g/mol
Exact mass: 75.0684 Da
Melting point: 208 °C
logP: 0.19Crippen estimate
Polar surface area: 23.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed71.8% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H411 Toxic to aquatic life with long lasting effects55.9% of notifiers

Aggregated from 188 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

1184-78-7

SMILES

C[N+](C)(C)[O-]

InChIKey

UYPYRKYUKCHHIB-UHFFFAOYSA-N

InChI

InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Trimethylamine, N-oxide
Methanamine, N,N-dimethyl-, N-oxide
TMAO
Trimethylamine oxide
Triox
N,N-Dimethylmethanamine N-oxide
NSC 408426

Work with Trimethylamine N-oxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Trimethylamine oxide dihydrate62637-93-8Hydrate

Same formula

N-Methylethanolamine109-83-1 2-Methoxyethylamine109-85-3 3-Amino-1-propanol156-87-6 L-Alaninol2749-11-3 (R)-1-Amino-2-propanol2799-16-8 (+)-1-Amino-2-propanol2799-17-9 (R)-(-)-2-Amino-1-propanol35320-23-1 Alaninol6168-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia