Choline chloride

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: -

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