chempirical

Choline iodide

C5H14INOCAS 17773-10-3231.08 g/mol

Open in Covalent MOL file
N+OHI−
AlcoholQuaternary ammonium

Properties

Molecular formula
C5H14INO
Molar mass
231.08 g/mol
Exact mass
231.0120 Da
Melting point
258 °C (decomposes)
logP
-3.31Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
17773-10-3
SMILES
C[N+](C)(C)CCO.[I-]
InChIKey
FNPBHXSBDADRBT-UHFFFAOYSA-M
InChI
InChI=1S/C5H14NO.HI/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names
  • Choline, iodide
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide (1:1)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, iodide
  • Trimethyl(2-hydroxyethyl)ammonium iodide
  • Dilatol zambon
  • 2-Hydroxyethyltrimethylammonium iodide

Work with Choline iodide

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 hydroxide123-41-1Salt Choline bitartrate87-67-2Salt Oxtriphylline4499-40-5Salt Choline dihydrogen citrate77-91-8Salt Ferrocholinate1336-80-7Salt Choline bicarbonate78-73-9Salt Trimethyl(2-hydroxyethyl)ammonium bromide1927-06-6Salt Choline p-toluenesulfonate55357-38-5Salt Choline fenofibrate856676-23-8Salt

Similar compounds

Decamethylenebis(trimethylammonium) iodide1420-40-252 % similar (2-Hydroxytrimethylene)bis[trimethylammonium iodide]123-47-740 % similar (Iodomethyl)trimethylammonium iodide39741-91-839 % similar Acetylcholine iodide2260-50-637 % similar Acetylthiocholine iodide1866-15-535 % similar Polyquaternium 175345-27-634 % similar 1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide methiodide22572-40-333 % similar Decamethonium bromide541-22-033 % similar

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

Elsewhere

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