Tetramethylammonium triacetoxyborohydride

C₁₀H₂₁BNO₆CAS 109704-53-2262.09 g/mol

Open in Covalent MOL file

Quaternary ammonium

Properties

Molecular formula: C₁₀H₂₁BNO₆
Molar mass: 262.09 g/mol
Exact mass: 262.1462 Da
logP: -0.02Crippen estimate
Polar surface area: 78.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

Hazards

Danger

H261 In contact with water releases flammable gas100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P231+P232, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P402+P404, P403+P233, P405, P501

Identifiers

CAS number

109704-53-2

SMILES

[B-](OC(=O)C)(OC(=O)C)OC(=O)C.C[N+](C)(C)C

InChIKey

ZWSJBUUORJFGHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H9BO6.C4H12N/c1-4(8)11-7(12-5(2)9)13-6(3)10;1-5(2,3)4/h1-3H3;1-4H3/q-1;+1

Weigh it out

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

Work with Tetramethylammonium triacetoxyborohydride

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.

Similar compounds

Acetic anhydride108-24-743 % similar Tetraacetoxysilane562-90-338 % similar Methyl acetate79-20-938 % similar Bromomethyl acetate590-97-637 % similar Glycol diacetate111-55-736 % similar Peracetic acid79-21-036 % similar Dimethyldiacetoxysilane2182-66-335 % similar Trimethylsilyl acetate2754-27-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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