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Betaine

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Name

Betaine

EINECS 203-490-6
CAS No. 107-43-7 Density 1.00 g/mL at 20 °C
Solubility 160 g/100 mL in water Melting Point 301-305 °C (dec.)
Formula C5H11NO2 Boiling Point
Molecular Weight 117.15 Flash Point
Transport Information 25kgs Appearance white cryst. powder
Safety 24/25-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 107-43-7 (Betaine) Hazard Symbols HarmfulXn
Synonyms

glycine betaine;Trimethylaminoacetate;trimethylammonioacetate;(Carboxymethyl)trimethylammonium hydroxide inner salt;2-trimethylammonioacetate;methanaminium, carboxy-N,N,N-trimethyl-, inner salt;Greenstim;FinnStim;Glycine, trimethylbetaine;(trimethylammoniumyl)acetate;alpha-Earleine;2-(Trimethylammonio)ethanoic acid, hydroxide, inner salt;Aquadew AN 100;Trimethylglycocoll;trimethylglycocoll anhydride;Loramine AMB-13;Trimethylglycine(betaine);Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt;Trimethylaminoacetic acid;Methanaminium, 1-carboxy-N,N, N-trimethyl-, hydroxide, inner salt;Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt (9CI);Betaine Anhydrous Feed Grade;Trimethyl Glycine;Betaine; Trimethylammonioacetate;Lycium Chinense Extract Powder;wolfberry;

 

Betaine Specification

The Betaine, with the CAS registry number 107-43-7,is also known as Methanaminium; Trimethylammonioacetate. It belongs to the product categories of Molecular Biology Reagents;PCR Reaction Components;PCR/Amplification. This chemical's molecular formula is C5H11NO2 and molecular weight is 117.15.Its EINECS number is 203-490-6. What's more,Its systematic name is Betaine. It is a white crystal powder which is stable, hygroscopic and incompatible with strong oxidizing agents.It is a naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. Betaine can be used to treat high homocysteine levels. Its alkylated derivates are used as quaternary ammonium zwitterionic surfactants.

Physical properties about Betaine are:
(1)ACD/LogP:  -3.228; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -2.63; (4)ACD/LogD (pH 7.4):  -2.63; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.66; (8)ACD/KOC (pH 7.4):  1.66; (9)#H bond acceptors:  3; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  2;

You can still convert the following datas into molecular structure:
(1)SMILES:C[N+](C)(C)CC(=O)[O-];
(2)Std. InChI:InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3;
(3)Std. InChIKey:KWIUHFFTVRNATP-UHFFFAOYSA-N.

Safety Information of Betaine:
The Betaine is harmful by inhalation, in contact with skin and if swallowed, and irritating to eyes, respiratory system and skin. When you use it ,you should avoid contact with skin and eyes.,and wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

The toxicity data of Betaine are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 830mg/kg (830mg/kg)   Medicina et Pharmacologia Experimentalis. Vol. 16, Pg. 529, 1967.
 
mouse LD50 subcutaneous 10800mg/kg (10800mg/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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