4-Methylmorpholine N-oxide monohydrate

C₅H₁₃NO₃CAS 70187-32-5135.16 g/mol

Open in Covalent MOL file

Ether Quaternary ammonium

Properties

Molecular formula: C₅H₁₃NO₃
Molar mass: 135.16 g/mol
Exact mass: 135.0895 Da
logP: -0.86Crippen estimate
Polar surface area: 63.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

70187-32-5

SMILES

C[N+]1(CCOCC1)[O-].O

InChIKey

WAZPLXZGZWWXDQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO2.H2O/c1-6(7)2-4-8-5-3-6;/h2-5H2,1H3;1H2

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Names and synonyms

1 names

N-Methylmorpholine N-oxide monohydrate

Work with 4-Methylmorpholine N-oxide monohydrate

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.

N-Methylmorpholine N-oxide7529-22-8Anhydrous

Similar compounds

Trimethylamine oxide dihydrate62637-93-833 % similar

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

Same formula

Betaine monohydrate17146-86-0 Betaine monohydrate590-47-6

Elsewhere

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