Choline chloride
A quaternary ammonium salt that serves as a bioavailable source of choline, an essential nutrient involved in phospholipid biosynthesis, neurotransmission, and one-carbon metabolism. Choline is required for the synthesis of acetylcholine and membrane phospholipids, while its oxidation to betaine supports methyl-group transfer reactions. Choline chloride is used in nutritional supplements, animal feed, cell culture media, and pharmaceutical formulations to provide choline and prevent deficiency
CAS Number: 67-48-1
Molecular Mass: 139.62 g/mol
Formula: C5H14ClNO
Smiles: C[N+](C)(C)CCO.[Cl-]
Synonymes:
Choline chloride, CHOLINE CHLORIDE, 67-48-1, Lipotril, Hepacholine, Paresan, 2-Hydroxy-N,N,N-trimethylethanaminium chloride, (2-Hydroxyethyl)trimethylammonium chloride, Hormocline, Biocolina, Biocoline, Luridin chloride, Choline hydrochloride, Neocolina, Bilineurin chloride, Cholinium chloride, Choline, chloride, Chloride de choline, Choline chlorhydrate, Cholini chloridum, Cloruro de colina, Chlorure de choline, Colina cloruro, Trimethyl(2-hydroxyethyl)ammonium chloride, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride, (beta-Hydroxyethyl)trimethylammonium chloride, NSC-402838, 2-Hydroxy-N,N,N,-trimethylethanaminium chloride, FEMA NO. 4500, Ammonium, (2-hydroxyethyl)trimethyl-, chloride, 45I14D8O27, CHEBI:133341, cholinii chloridum, Chloride, Choline, cholinium chloratum, RefChem:5681, 200-655-4, Choline chloride [INN], CHOLINE (CL), 2-Hydroxyethyl(trimethyl)azanium, chloride, Choline (chloride), MFCD00011721, (2-hydroxyethyl)trimethylazanium chloride, CHEMBL282468, DTXSID4020325, s4171, Choline chloride - 99%, Colina cloruro [DCIT], 2-(trimethylamino)ethan-1-ol, chloride, Chloride de choline [French], CCRIS 3716, Cholini chloridum [INN-Latin], HSDB 984, NSC402838, (2-H2-Hydroxyethyl)trimethylammonium chloride, Cloruro de colina [INN-Spanish], Chlorure de choline [INN-French], SR-01000075745, EINECS 200-655-4, NSC 402838, AI3-18302, UNII-45I14D8O27, EC 200-655-4, SCHEMBL14957, CHOLINE CHLORIDE [MI], DTXCID20325, SPECTRUM1503428, Choline (chloride) (Standard), CHOLINE CHLORIDE [FCC], 2-Hydroxy-N,N,N-trimethylethanaminium chloride (1:1), orb1309972, orb3141093, CHOLINE CHLORIDE [HSDB], CHOLINE CHLORIDE [VANDF], HMS500F09, HY-B1337R, CHOLINE CHLORIDE [MART.], CHOLINE CHLORIDE [USP-RS], CHOLINE CHLORIDE [WHO-DD], HMS1922E20, HMS2093G05, HMS3652D05, HMS3885F09, HMS5082J04, Pharmakon1600-01503428, HY-B1337, Tox21_200492, CCG-39465, EBC-04258, MSK001638, NSC758473, SBB060960, AKOS015903458, Choline chloride - 75% water solution, CS-4855, FC01179, FS-3795, NSC-758473, CAS-67-48-1, WLN: Q2K1&1&1 &Q &G, NCGC00095059-01, NCGC00095059-02, NCGC00258046-01, 2-hydroxyethyl(trimethyl)ammonium, chloride, FC157132, FC179365, DB-055035, NS00076292, ST51037199, SW219165-1, (.beta.-Hydroxyethyl)trimethylammonium chloride, D70213, EN300-102823, AB01568267_01, 2-Hydroxy-N,N,N-trimethylethan-1-aminium chloride, F358031, Q-200847, Q2964153, SR-01000075745-3, SR-01000075745-5, 1CDEFBD7-7905-4D2C-BEA8-44A54D9787D3, F8889-3032, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1), Acetylcholine Chloride EP Impurity A, Carbachol EP Impurity A
Bioactivity: Essential nutrient; choline donor; precursor of acetylcholine and phosphatidylcholine
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 314.6 | - | 47.8 | [80] |
| 1-Butanol | 321.2 | - | 76.5 | [80] |
| 1-Butanol | 328.6 | - | 108.0 | [80] |
| 1-Butanol | 340.8 | - | 137.0 | [80] |
| 1-Butanol | 346.4 | - | 177.2 | [80] |
| 1-Butanol | 349.4 | - | 217.7 | [80] |
| 1-Butanol | 352.9 | - | 248.0 | [80] |
| 1-Propanol | 288.9 | - | 28.6 | [80] |
| 1-Propanol | 295.7 | - | 43.8 | [80] |
| 1-Propanol | 302.3 | - | 75.1 | [80] |
| 1-Propanol | 308.7 | - | 97.0 | [80] |
| 1-Propanol | 309.6 | - | 115.0 | [80] |
| 1-Propanol | 316.5 | - | 144.0 | [80] |
| 1-Propanol | 323.2 | - | 170.0 | [80] |
| 1-Propanol | 330.7 | - | 217.4 | [80] |
| 1-Propanol | 335.3 | - | 264.7 | [80] |
| 1-Propanol | 338.0 | - | 321.9 | [80] |
| Ethanol | 269.8 | - | 42.5 | [80] |
| Ethanol | 276.4 | - | 67.6 | [80] |
| Ethanol | 281.8 | - | 95.7 | [80] |
| Ethanol | 287.2 | - | 137.0 | [80] |
| Ethanol | 290.5 | - | 170.0 | [80] |
| Ethanol | 292.4 | - | 186.0 | [80] |
| Ethanol | 296.7 | - | 213.0 | [80] |
| Ethanol | 300.5 | - | 232.0 | [80] |
| Ethanol | 305.7 | - | 256.0 | [80] |
| Ethanol | 308.4 | - | 287.8 | [80] |
| Ethanol | 315.3 | - | 333.4 | [80] |
| Ethanol | 321.6 | - | 371.0 | [80] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 129.5530 |
| PMI2 | 296.5372 |
| PMI3 | 309.6994 |
| NPR1 | 0.4183 |
| NPR2 | 0.9575 |
| RadiusOfGyration | 1.6232 |
| InertialShapeFactor | 0.0074 |
| Eccentricity | 0.9083 |
| Asphericity | 0.2235 |
| SpherocityIndex | 0.6592 |
| PBF | 0.7919 |