Choline chloride

C₅H₁₄ClNOCAS 67-48-1139.62 g/mol

Open in Covalent MOL file

Alcohol Quaternary ammonium

Properties

Molecular formula: C₅H₁₄ClNO
Molar mass: 139.62 g/mol
Exact mass: 139.0764 Da
Melting point: 305 °C (decomposes)
Water solubility: miscible
logP: -3.31Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation46% of notifiers
H319 Causes serious eye irritation46% of notifiers
H335 May cause respiratory irritation45.6% of notifiers

Aggregated from 441 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

67-48-1

SMILES

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

InChIKey

SGMZJAMFUVOLNK-UHFFFAOYSA-M

InChI

InChI=1S/C5H14NO.ClH/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

22 names · show all

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
Choline, chloride
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride
Biocolina
Hepacholine
(2-Hydroxyethyl)trimethylammonium chloride
Lipotril
Cholinium chloride
(β-Hydroxyethyl)trimethylammonium chloride
Bilineurin chloride
Luridin chloride
Biocoline
Hormocline
Neocolina
Paresan
Trimethyl(2-hydroxyethyl)ammonium chloride
Actiron CC 6
Norcol 25
COL 24
ReaShure Choline
Claytreat
(2-Hydroxyethyl)trimethylazanium chloride

Work with Choline chloride

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 hydroxide123-41-1Salt 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

Chlormequat chloride999-81-548 % similar Caprylyltrimethylammonium chloride10108-86-842 % similar Decyltrimethylammonium chloride10108-87-942 % similar Dodecyltrimethylammonium chloride112-00-542 % similar Cetrimonium chloride112-02-742 % similar Stearyltrimethylammonium chloride112-03-842 % similar Tetradecyltrimethylammonium chloride4574-04-342 % similar Trimethoxysilylpropyl-N,N,N-trimethylammonium chloride35141-36-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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