Choline chloride

• CAS: 67-48-1
• Catalog Number: ACM67481
• Category: Functionized Ionic Liquids
• Molecular Weight: 139.62
• Molecular Formula: (CH3)3N(Cl)CH2CH₂OH
• Synonyms: (2-Hydroxyethyl)trimethylammonium chloride;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride;Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
• IUPAC Name: 2-Hydroxyethyl(trimethyl)azanium;chloride
• Canonical SMILES: C[N+](C)(C)CCO.[Cl-]
• InChI: SGMZJAMFUVOLNK-UHFFFAOYSA-M
• InChI Key: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
• Melting Point: 302-305 °C
• Solubility: Very soluble (NTP, 1992);Very sol in water and alcohol;Solubility in water: miscible
• Appearance: White crystalline powder
• Application: For research use only, not for human use
• Storage: Ambient
• Active Content: 95%
• Assay: 99.0% min.
• Color/Form: WHITE CRYSTALS;Deliquescent crystals
• Complexity: 46.5
• Covalently-Bonded Unit Count: 2
• Decomposition: When heated to decomposition it emits toxic fumes of chloride, /sulfur oxides/, and /Nitrogen oxides/.
• EC Number: 200-655-4
• Exact Mass: 139.076g/mol
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 8
• ICSC Number: 0853
• Monoisotopic Mass: 139.076g/mol
• NSC Number: 758473
• Octanol Water Partition Coefficient: log Kow = -5.16 (est);-5.16
• Other Experimental: Aq soln is practically neutral
• pH: 5.0-7.5 (1M, H2O, 25°C)
• Physical Description: CHOLINE CHLORIDE is a white crystals. Practically neutral aqueous solution. (NTP, 1992);DryPowder; DryPowder, Liquid; Liquid; PelletsLargeCrystals;WHITE HYGROSCOPIC CRYSTALS.
• Physical State: Solid
• Rotatable Bond Count: 2
• RTECS Number: KH2975000
• Stability: Keep tightly closed.
• Topological Polar Surface Area: 20.2A^2
• UNII: 45I14D8O27

Custom Q&A

What is the chemical formula of choline chloride?

The chemical formula of choline chloride is C5H14NO.Cl.

What is the molecular weight of choline chloride?

The molecular weight of choline chloride is 139.62 g/mol.

What is the structure of choline chloride?

The structure of choline chloride is a quaternary ammonium salt with choline cation and chloride anion.

What is the role of choline chloride?

Choline chloride has a role as an animal growth promotant.

What are the synonyms for choline chloride?

The synonyms for choline chloride include Hepacholine, Lipotril, and Paresan.

What is the IUPAC name of choline chloride?

The IUPAC name of choline chloride is 2-hydroxyethyl(trimethyl)azanium;chloride.

What is the CAS number of choline chloride?

The CAS number of choline chloride is 67-48-1.

What is the UNII of choline chloride?

The UNII of choline chloride is 45I14D8O27.

What is the FEMA number of choline chloride?

The FEMA number of choline chloride is 4500.

What is the Wikipedia page for choline chloride?

The Wikipedia page for choline chloride is "Choline_chloride".

Synthetic Use

Downstream Synthesis Route 1

• 67-48-1

• 107-43-7

Reference: [1] Patent: CN104557579, 2017, B, . Location in patent: Paragraph 0013; 0024; 0025; 0026; 0027; 0028; 0029-0053

Downstream Synthesis Route 2

• 67-48-1

• 108-01-0
• 7418-61-3
• 107-43-7
• 75-07-0
• 64-19-7
• 75-50-3

Reference: [1] Catalysis Today, 2015, vol. 257, # Part 2, p. 297 - 304

Downstream Synthesis Route 3

• 67-48-1
• 7732-18-5

• 64-18-6
• 107-43-7
• 7664-41-7
• 298-12-4

Reference: [1] Nagasaki med. J., 1959, vol. 34, p. 1179

Downstream Synthesis Route 4

• 108-30-5
• 67-48-1

• 5297-17-6

Reference: [1]Doege; Pohloudek-Fabini; Kottke
[Pharmazie, 1982, vol. 37, # 10, p. 708 - 711]
[2]Jones; Pain; zit. bei Fraser
[British Journal of Pharmacology and Chemotherapy, 1954, vol. 9, p. 429,436]

Downstream Synthesis Route 5

• 75-44-5
• 67-48-1

• 92442-84-7

Reference: [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 3009 - 3013
[2]Patent: US5607691,1997,A
[3]Patent: WO2004/78753,2004,A1 .Location in patent: Page 75
[4]Patent: DE671461,1936,
Fortschr. Teerfarbenfabr. Verw. Industriezweige,vol. 25,p. 350

Downstream Synthesis Route 6

• 106-31-0
• 67-48-1

• 2963-78-2

Reference: [1]Current Patent Assignee: MERCK & CO INC - US2012268, 1931, A

* For details of the synthesis route, please refer to the original source to ensure accuracy.