Dimethylglyoxime disodium salt octahydrate

C₄H₂₂N₂Na₂O₁₀CAS 75006-64-3304.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₂₂N₂Na₂O₁₀
Molar mass: 304.20 g/mol
Exact mass: 304.1070 Da
logP: -11.69Crippen estimate
Polar surface area: 322.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1
Double bonds: E, ZE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 4 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

75006-64-3

SMILES

C/C(=N\[O-])/C(=N\[O-])/C.O.O.O.O.O.O.O.O.[Na+].[Na+]

InChIKey

IJJDRGUPRATWQX-AYRFHWHCSA-L

InChI

InChI=1S/C4H8N2O2.2Na.8H2O/c1-3(5-7)4(2)6-8;;;;;;;;;;/h7-8H,1-2H3;;;8*1H2/q;2*+1;;;;;;;;/p-2/b5-3-,6-4+;;;;;;;;;;

Weigh it out

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

Work with Dimethylglyoxime disodium salt octahydrate

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.

Sodium dimethylglyoximate60908-54-5Anhydrous, stereo not defined Dimethylglyoxime95-45-4Parent compound, stereo not defined

Similar compounds

Sodium acetate trihydrate6131-90-438 % similar Sodium perchlorate monohydrate7791-07-336 % similar Sodium carbonate monohydrate5968-11-632 % similar Sodium carbonate decahydrate6132-02-132 % similar

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

Elsewhere

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