Choline hydroxide

C₅H₁₅NO₂CAS 123-41-1121.18 g/mol

Open in Covalent MOL file

Alcohol Quaternary ammonium

Properties

Molecular formula: C₅H₁₅NO₂
Molar mass: 121.18 g/mol
Exact mass: 121.1103 Da
logP: -0.49Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage99.7% of notifiers
H318 Causes serious eye damage69% of notifiers
H335 May cause respiratory irritation20.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure20.2% of notifiers

Aggregated from 352 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

123-41-1

SMILES

C[N+](C)(C)CCO.[OH-]

InChIKey

KIZQNNOULOCVDM-UHFFFAOYSA-M

InChI

InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1

Weigh it out

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

Names and synonyms

19 names · show all

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1)
Choline, hydroxide
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
Bursine
Fagine
Gossypine
(β-Hydroxyethyl)trimethylammonium hydroxide
Luridine
Sincaline
Sinkalin
Sinkaline
Vidine
(2-Hydroxyethyl)trimethylammonium hydroxide
Trimethyl(hydroxyethyl)ammonium hydroxide
Trimethyl(2-hydroxyethyl)ammonium hydroxide
N,N,N-Trimethyl-N-(2-hydroxyethyl)ammonium hydroxide
Cholinium hydroxide
N,N,N-Trimethyl-N-hydroxyethylammonium hydroxide
2-Hydroxy-N,N,N-trimethylethanaminium hydroxide

Work with Choline hydroxide

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.

Choline62-49-7Cation Choline chloride67-48-1Salt Choline bitartrate87-67-2Salt Oxtriphylline4499-40-5Salt Choline dihydrogen citrate77-91-8Salt Ferrocholinate1336-80-7Salt Choline bicarbonate78-73-9Salt Choline iodide17773-10-3Salt Choline p-toluenesulfonate55357-38-5Salt Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-6Salt Choline fenofibrate856676-23-8Salt

Similar compounds

Cetrimonium hydroxide505-86-242 % similar Polyquaternium 175345-27-634 % similar Decamethylenebis(trimethylammonium) iodide1420-40-233 % similar Decamethonium bromide541-22-033 % similar Hexamethonium bromide55-97-033 % similar Trimethylpropylammonium bromide2650-50-232 % similar Tetramethylammonium hydroxide75-59-232 % similar Benzyltrimethylammonium hydroxide100-85-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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