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Basic Information
CAS No.: 62-49-7
Name: CHOLINE
Article Data: 55
Molecular Structure:
Molecular Structure of 62-49-7 (CHOLINE)
Formula: C5H14NO
Molecular Weight: 104.172
Synonyms: Choline(8CI);(2-Hydroxyethyl)trimethylammonium;Bilineurine;Choline cation;Cholineion;Nanoveson C;
EINECS: 200-535-1
Density: 1.09 g/mL at 20 °C
Melting Point: 170-172 °C
Boiling Point: 195.35°C (rough estimate)
Solubility: Soluble in water and alcohol. Insoluble in ether
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-36/37/39-45
Transport Information: UN 3286 3/PG 2
PSA: 20.23000
LogP: -0.31510
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    CHOLINE

    New development of Reagents change our future When someone hears “chemical,” perhaps he or she associates it with negative connotations such as environmental destruction, contamina

  • Kanto Chemical Co., Inc.

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  • Choline

  • Casno:

    62-49-7

    Choline

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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  • Choline

  • Casno:

    62-49-7

    Choline

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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History

In 1866, Choline (CAS NO.62-49-7) was discovered by Andreas Strecker in 1864 and chemically synthesized.
In 1998 choline was classified as an essential nutrient by the Food and Nutrition Board of the Institute of Medicine (U.S.A.).

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Choline, with the CAS registry number 62-49-7, is also known as (2-Hydroxyethyl)trimethylammonium. Its EINECS number is 200-535-1. This chemical's molecular formula is C5H14NO and molecular weight is 104.17. What's more, its systematic name is 2-Hydroxy-N,N,N-trimethylethanaminium. Its classification codes are: (1)Antimetabolites; (2)Central Nervous System Agents; (3)Gastrointestinal Agents; (4)Hypolipidemic Agents; (5)Lipid Regulating Agents; (6)Lipotropic agents; (7)Nootropic agents. This chemical is a basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism. This substance is a water-soluble essential nutrient. It is usually grouped within the B-complex vitamins. Choline generally refers to the various quaternary ammonium salts.

Physical properties of Choline are: (1)ACD/LogP: -4.141; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.14; (4)ACD/LogD (pH 7.4): -4.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å2.

Uses of Choline: it can be used to produce (2-{[2-(6-amino-purin-9-yl)-ethoxymethyl]-hydroxy-phosphinoyloxy}-ethyl)-trimethyl-ammonium at the ambient temperature. It will need reagent thionyl chloride and solvent dimethylformamide with the reaction time of 16 hours. The yield is about 38%.

Choline can be used to produce (2-{[2-(6-amino-purin-9-yl)-ethoxymethyl]-hydroxy-phosphinoyloxy}-ethyl)-trimethyl-ammonium at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C[N+](C)(C)CCO
(2)Std. InChI: InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
(3)Std. InChIKey: OEYIOHPDSNJKLS-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 35mg/kg (35mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 358, 1948.
cat LDLo subcutaneous 150mg/kg (150mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
frog LDLo subcutaneous 1500mg/kg (1500mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
guinea pig LDLo intraperitoneal 450mg/kg (450mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 85, Pg. 642, 1954.
rabbit LDLo intravenous 70mg/kg (70mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 83, Pg. 481, 1920.
rabbit LDLo rectal 460mg/kg (460mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 83, Pg. 481, 1920.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg)   "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 358, 1948.