CAS No.107-43-7,Betaine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	107-43-7
Name:	Betaine
Article Data:	70

Formula:	C₅H₁₁NO₂
Molecular Weight:	117.148
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;
EINECS:	203-490-6
Density:	1.00 g/mL at 20 °C
Melting Point:	301-305 °C (dec.)
Boiling Point:	218.95°C (rough estimate)
Solubility:	160 g/100 mL in water
Appearance:	white cryst. powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	24/25-36-26
Transport Information:	25kgs
PSA:	40.13000
LogP:	-1.55750

Synthetic route

: 67-48-1
choline chloride

: 107-43-7
betaine

Conditions

Conditions	Yield
With sodium hypochlorite; sodium chlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In acetonitrile for 10h; Solvent;	90.1%
With choline oxidase; oxygen; pyrophosphoric acid at 25℃; pH=6.5; Enzyme kinetics; Further Variations:; Temperatures; pH-values;
With choline oxidase; oxygen In aq. phosphate buffer at 37℃; for 312h; Enzymatic reaction;
With choline oxidase; oxygen

: 186581-53-3, 908094-01-9
diazomethane

: 60-29-7
diethyl ether

: 56-40-6
glycine

: 107-43-7
betaine

Conditions

Conditions	Yield
bei Gegenwart von Wasser;

...Expand

: 186581-53-3, 908094-01-9
diazomethane

: 56-40-6
glycine

: 107-43-7
betaine

Conditions

Conditions	Yield
intermediaere Bildung von Glycin-methylester;
With diethyl ether; water

: 74-87-3
methylene chloride

: 7148-06-3
N,N-dimethylglycine methyl ester

: 107-43-7
betaine

Conditions

Conditions	Yield
With benzene Man erhitzt im geschlossenen Gefaess auf ca. 90grad und verseift den ausgeschiedenen Betainester mit verd. Salzsaeure im geschlossenen Gefaess bei 100-150grad;

: 80-68-2
DL-threonine

: 623-11-0
1-methyl-4-nitrosobenzene

: 107-43-7
betaine

Conditions

Conditions	Yield
bei der Methylierung;

: 4385-04-0
N,N-dimethylhexylamine

: 7748-25-6
potassium chloroacetate

: 107-43-7
betaine

Conditions

Conditions	Yield
at 80 - 90℃;

: 62-49-7
choline

: 107-43-7
betaine

Conditions

Conditions	Yield
With alkali durch Einwirkung von Leber- und Nieren-Praeparaten unter aeroben Bedingungen;
With potassium permanganate; sulfuric acid
With sulfuric acid; permanganate(VII) ion
With choline dehydrogenase Enzymatic reaction;
With choline oxidase

: 7148-06-3
N,N-dimethylglycine methyl ester

: 107-43-7
betaine

Conditions

Conditions	Yield
at 170 - 200℃; in geschlossenem Rohr;

: 7418-61-3
betaine aldehyde

: 107-43-7
betaine

Conditions

Conditions	Yield
With alkali durch Einwirkung von Leber- und Nieren-Praeparaten unter aeroben Bedingungen;

: 51-84-3
acetylcholine

: 107-43-7
betaine

Conditions

Conditions	Yield
With potassium permanganate; sulfuric acid

Raw Materials

75-50-3

123-41-1

67-48-1

Downstream Products

124-38-9

64-18-6

100-52-7

5961-59-1

60379-56-8

5938-06-7

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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.