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| CAS No.: | 107-43-7 |
|---|---|
| Name: | Betaine |
| Article Data: | 70 |
| Cas Database | |
| Molecular Structure: | |
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| 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) |
| Flash Point: | N/A |
| 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 |
| 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 |
| Conditions | Yield |
|---|---|
| bei Gegenwart von Wasser; |
| Conditions | Yield |
|---|---|
| intermediaere Bildung von Glycin-methylester; | |
| With diethyl ether; water |
| 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; |
| Conditions | Yield |
|---|---|
| bei der Methylierung; |
| Conditions | Yield |
|---|---|
| at 80 - 90℃; |
| 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 |
| Conditions | Yield |
|---|---|
| at 170 - 200℃; in geschlossenem Rohr; |
| Conditions | Yield |
|---|---|
| With alkali durch Einwirkung von Leber- und Nieren-Praeparaten unter aeroben Bedingungen; |
| Conditions | Yield |
|---|---|
| With potassium permanganate; sulfuric acid |
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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. |
