2 Names and Identifiers
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-hydroxyethyl(trimethyl)azanium;chloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
PubChem
2.1.2 InChI
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PubChem
2.1.3 InChIKey
SGMZJAMFUVOLNK-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PubChem
2.1.4 Canonical SMILES
C[N+](C)(C)CCO.[Cl-]
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
PubChem
2.2 Molecular Formula
C5H14NO.Cl
CAMEO Chemicals
ILO-WHO International Chemical Safety Cards (ICSCs)
C5H14ClNO
Computed by PubChem 2.2 (PubChem release 2021.10.14)
PubChem
2.3 Other Identifiers
2.3.1 CAS
67-48-1
CAMEO Chemicals; CAS Common Chemistry; ChemIDplus; DTP/NCI; EPA Chemicals under the TSCA; EPA DSSTox; European Chemicals Agency (ECHA); FDA Global Substance Registration System (GSRS); Hazardous Substances Data Bank (HSDB); ILO-WHO International Chemical Safety Cards (ICSCs); New Zealand Environmental Protection Authority (EPA)
2.3.2 Related CAS
62-49-7 (Parent)
ChemIDplus
2.3.3 Deprecated CAS
1643859-93-1, 2028303-08-2
ChemIDplus
2.3.4 European Community (EC) Number
200-655-4
European Chemicals Agency (ECHA)
2.3.5 UNII
45I14D8O27
FDA Global Substance Registration System (GSRS)
2.3.6 ChEMBL ID
2.3.7 DSSTox Substance ID
2.3.8 FEMA Number
4500
Flavor and Extract Manufacturers Association (FEMA); Joint FAO/WHO Expert Committee on Food Additives (JECFA)
2.3.9 ICSC Number
0853
ILO-WHO International Chemical Safety Cards (ICSCs)
2.3.10 JECFA Number
2003
Joint FAO/WHO Expert Committee on Food Additives (JECFA)
2.3.11 NCI Thesaurus Code
C76835
NCI Thesaurus (NCIt)
2.3.12 NSC Number
758473
DTP/NCI
402838
DTP/NCI
2.3.13 RXCUI
1425426
NLM RxNorm Terminology
2.3.14 Wikidata
2.3.15 Wikipedia
Choline_chloride
Wikipedia
2.4 Synonyms
2.4.1 MeSH Entry Terms
- 2-Hydroxy-N,N,N-trimethylethanaminium
- Bitartrate, Choline
- Bursine
- Chloride, Choline
- Choline
- Choline Bitartrate
- Choline Chloride
- Choline Citrate
- Choline Hydroxide
- Choline O Sulfate
- Choline O-Sulfate
- Citrate, Choline
- Fagine
- Hydroxide, Choline
- O-Sulfate, Choline
- Vidine
Medical Subject Headings (MeSH)
2.4.2 Depositor-Supplied Synonyms
- CHOLINE CHLORIDE
- 67-48-1
- Hepacholine
- Lipotril
- Paresan
- 2-Hydroxy-N,N,N-trimethylethanaminium chloride
- Biocolina
- Biocoline
- Hormocline
- (2-Hydroxyethyl)trimethylammonium chloride
- Luridin chloride
- Choline hydrochloride
- Neocolina
- Bilineurin chloride
- Cholinium chloride
- Choline, chloride
- Chloride de choline
- Choline chlorhydrate
- Cholini chloridum
- CHOLINE (CL)
- Colina cloruro
- 2-Hydroxyethyl(trimethyl)azanium;chloride
- Choline chloride [INN]
- Cloruro de colina
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride
- Chlorure de choline
- Choline (chloride)
- Trimethyl(2-hydroxyethyl)ammonium chloride
- CCRIS 3716
- HSDB 984
- (beta-Hydroxyethyl)trimethylammonium chloride
- EINECS 200-655-4
- NSC 402838
- NSC-402838
- 2-Hydroxy-N,N,N,-trimethylethanaminium chloride
- (2-hydroxyethyl)trimethylazanium chloride
- CHOLINE-D13 CHLORIDE
- DTXSID4020325
- FEMA NO. 4500
- UNII-45I14D8O27
- AI3-18302
- Cloruro de colina [INN-Spanish]
- CHEBI:133341
- Chlorure de choline [INN-French]
- Ammonium, (2-hydroxyethyl)trimethyl-, chloride
- MFCD00011721
- 45I14D8O27
- DTXCID20325
- CHEMBL282468
- Cholinechloride
- EC 200-655-4
- 352438-97-2
- 2-Hydroxy-N,N,N-trimethylethanaminium chloride (1:1)
- CHOLINE CHLORIDE (MART.)
- CHOLINE CHLORIDE [MART.]
- Cloruro de colina (INN-Spanish)
- CHOLINE CHLORIDE (USP-RS)
- CHOLINE CHLORIDE [USP-RS]
- Chlorure de choline (INN-French)
- Colina cloruro [DCIT]
- Chloride de choline [French]
- CHOLINE CHLORIDE (TRIMETHYL-D9)
- Cholini chloridum [INN-Latin]
- NSC402838
- SR-01000075745
- 2-hydroxyethyl(trimethyl)azanium chloride
- cholinii chloridum
- Chloride, Choline
- cholinium chloratum
- Choline Chloride,(S)
- 2-hydroxyethyl(trimethyl)ammonium chloride
- SCHEMBL14957
- CHOLINE CHLORIDE [MI]
- SPECTRUM1503428
- CHOLINE CHLORIDE [FCC]
- CHOLINE CHLORIDE [HSDB]
- CHOLINE CHLORIDE [INCI]
- CHOLINE CHLORIDE [VANDF]
- HMS500F09
- CHOLINE CHLORIDE [WHO-DD]
- SGMZJAMFUVOLNK-UHFFFAOYSA-M
- HMS1922E20
- HMS2093G05
- HMS3652D05
- HMS3885F09
- Pharmakon1600-01503428
- AMY13898
- Choline chloride [HOEtN1,1,1]Cl
- HY-B1337
- Tox21_200492
- CCG-39465
- NSC758473
- s4171
- AKOS015903458
- CS-4855
- 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
- FT-0612603
- FT-0665025
- NS00076292
- SW219165-1
- (2-H2-Hydroxyethyl)trimethylammonium chloride
- (.beta.-Hydroxyethyl)trimethylammonium chloride
- D70213
- EN300-102823
- AB01568267_01
- 2-Hydroxy-N,N,N-trimethylethan-1-aminium chloride
- A835769
- Q2964153
- SR-01000075745-3
- SR-01000075745-5
- 1CDEFBD7-7905-4D2C-BEA8-44A54D9787D3
- F8889-3032
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
PubChem
3 Chemical and Physical Properties
3.1 Computed Properties
Property Name
Property Value
Reference
Molecular Weight
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Hydrogen Bond Donor Count
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Hydrogen Bond Acceptor Count
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Rotatable Bond Count
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Exact Mass
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Monoisotopic Mass
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Topological Polar Surface Area
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Heavy Atom Count
Computed by PubChem
Complexity
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Isotope Atom Count
Computed by PubChem
Defined Atom Stereocenter Count
Computed by PubChem
Undefined Atom Stereocenter Count
Computed by PubChem
Defined Bond Stereocenter Count
Computed by PubChem
Undefined Bond Stereocenter Count
Computed by PubChem
Covalently-Bonded Unit Count
Computed by PubChem
Compound Is Canonicalized
Computed by PubChem (release 2021.10.14)
PubChem
3.2 Experimental Properties
3.2.1 Physical Description
Choline chloride appears as white crystals. Practically neutral aqueous solution. (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina: NTP.
CAMEO Chemicals
Dry Powder; Liquid
EPA Chemicals under the TSCA
WHITE HYGROSCOPIC CRYSTALS.
ILO-WHO International Chemical Safety Cards (ICSCs)
Colourless or white crystals, also in the form of white crystalline solid
Joint FAO/WHO Expert Committee on Food Additives (JECFA)
3.2.2 Color / Form
WHITE CRYSTALS
Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 962
Hazardous Substances Data Bank (HSDB)
Deliquescent crystals
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 366
Hazardous Substances Data Bank (HSDB)
3.2.3 Melting Point
577 to 581 °F (Decomposes) (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina: NTP.
CAMEO Chemicals
305 °C (decomposes)
Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 2594
Hazardous Substances Data Bank (HSDB)
305 °C
ILO-WHO International Chemical Safety Cards (ICSCs)
3.2.4 Solubility
Very soluble (NTP, 1992)
National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina: NTP.
CAMEO Chemicals
Very sol in water and alcohol
O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 366
Hazardous Substances Data Bank (HSDB)
Solubility in water: miscible
ILO-WHO International Chemical Safety Cards (ICSCs)
Soluble in water
Joint FAO/WHO Expert Committee on Food Additives (JECFA)
Soluble (in ethanol)
Joint FAO/WHO Expert Committee on Food Additives (JECFA)