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Betaine hydrochloride

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Name

Betaine hydrochloride

EINECS 209-683-1
CAS No. 590-46-5 Density 1 g/cm3
Solubility 64.7 g/100 mL (25 °C) in water Melting Point 241-242 °C(lit.)
Formula C5H12ClNO2 Boiling Point
Molecular Weight 153.61 Flash Point
Transport Information Appearance colorless to white crystals
Safety 26-39-24/25-36 Risk Codes 36-36/37/38-20/21/22
Molecular Structure Molecular Structure of 590-46-5 (Methanaminium,1-carboxy-N,N,N-trimethyl-, chloride (1:1)) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

ACIDOL;Achylin;Pluchine;carboxymethyl-trimethyl-ammonium chloride;Muriat;Achyin;Acidin;betainium chloride;betaine chloride;Euacid;carboxy-N,N,N-trimethylmethanaminium chloride;BET HCL;betain hydrochloride;Acinorm;Acidine;

 

Betaine hydrochloride Consensus Reports

Reported in EPA TSCA Inventory.

Betaine hydrochloride Specification

The IUPAC name of this chemical is carboxymethyl(trimethyl)azanium chloride. With the CAS registry number 590-46-5, it is also named as Betaine hydrochloride. The product's categorie is quaternary ammonium compound. It is colorless to white crystal which is soluble in water and ethanol, almost insoluble in chloroform and ether. In addition, this chemical should be stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -2.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.61; (8)ACD/KOC (pH 7.4): 1.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Rotatable Bond Count: 2; (13)Exact Mass: 153.055656; (14)MonoIsotopic Mass: 153.055656; (15)Topological Polar Surface Area: 37.3; (16)Heavy Atom Count: 9; (17)Complexity: 93.1.

Uses of (Carboxymethyl)trimethylammonium chloride: It is a kind of betaine which is used as efficient animal growth promoters. It is also used as food and feed additives. Additionally, this chemical is used as gastrointestinal function regulator in pharmaceutical grade.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=C(O)C[N+](C)(C)C
2. InChI:InChI=1/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
3. InChIKey:HOPSCVCBEOCPJZ-UHFFFAOYAG

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 8gm/kg (8000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FLUID INTAKE

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.
 

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