Trimethylamine oxide dihydrate

C₃H₁₃NO₃CAS 62637-93-8111.14 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₃H₁₃NO₃
Molar mass: 111.14 g/mol
Exact mass: 111.0895 Da
Melting point: 96 °C
logP: -1.46Crippen estimate
Polar surface area: 86.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

62637-93-8

SMILES

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

InChIKey

PGFPZGKEDZGJQZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Methanamine, N,N-dimethyl-, N-oxide, dihydrate
Trimethylamine, N-oxide, dihydrate

Work with Trimethylamine oxide dihydrate

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

Similar compounds

Trimethylamine N-oxide1184-78-775 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook