| Identification | More | [Name]
Betaine monohydrate | [CAS]
590-47-6 | [Synonyms]
BETAINE HYDRATE
BETAINE MONOHYDRATE
BET H2O
(CARBOXYMETHYL)TRIMETHYLAMMONIUM HYDROXIDE
betaine free base monohydrate
BETAINE INNER SALT MONOHYDRATE, = 99%
BetaineMonohydrate,>98%
(Carboxymethyl)trimethylammoniumhydroxid
(Carboxymethyl)trimethylammonium hydroxide monohydrate
(Carboxymethyl)trimethylammonium hydroxide, (Carboxymethyl)trimethylammonium
Betaine monohydrate inner salt
Carboxymethyl-trimethylazanium hydroxide
Betaine monohydrate, 99%, for analysis
Betaine monohydrate, for analysis | [EINECS(EC#)]
203-490-6 | [Molecular Formula]
C5H13NO3 | [MDL Number]
MFCD00150010 | [Molecular Weight]
135.16 | [MOL File]
590-47-6.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE CRYSTALS OR CRYSTALLINE POWDER | [storage temp. ]
2-8°C
| [solubility ]
H2O: 0.1 g/mL, clear, colorless
| [Water Solubility ]
SOLUBLE. >100 g/100 mL | [Merck ]
13,1182 | [BRN ]
3626258 | [InChI]
InChI=1S/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2 | [InChIKey]
NJZRLXNBGZBREL-UHFFFAOYSA-N | [SMILES]
C(C(=O)O)[N+](C)(C)C.[OH-] | [CAS DataBase Reference]
590-47-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
1
| [HS Code ]
29239000 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE CRYSTALS OR CRYSTALLINE POWDER | [Uses]
Betaine monohydrate has been used:
- in the preparation of KLA buffer to perform polymerase chain reaction (PCR)
- to study the its effects on Km and Vmax of human aldose reductase
- to study its effects on the growth of A549 lung cancer both in vitro and in vivo
| [Definition]
ChEBI: A hydrate that is the monohydrate form of glycine betaine. | [General Description]
Betaine is a zwitterionic quaternary ammonium compound and is mainly present in animals, microorganisms and plants. It is one of the main constituent of several food items like wheat, shellfish, spinach and sugar beets. It is also termed as trimethylglycine, lycine, glycine betaine and oxyneurine. Betaine is a methyl derivative of glycine. It has a molecular mass of 117.2. | [Biochem/physiol Actions]
End-product of oxidative metabolism of choline, betaine is a general methyl donor, in particular in a minor pathway of methionine biosynthesis. It is used to treat homocystinuria, which is a defect in the major pathway of methionine biosynthesis. | [Purification Methods]
Crystallise betaine from aqueous EtOH or EtOH/Et2O. The monohydrate loses H2O above 100o. Betaine undergoes internal alkylation to methyl dimethylaminoacetate Purification of Biochemicals — Amino Acids and Peptides above its melting point. It is also prepared by treating the hydrochloride (below) with silver oxide and recrystallising from EtOH/Et2O. [Edsall J Am Chem Soc 66 1767 1943, Leifer & Lippincott J Am Chem Soc 79 5098 1957, for pK see Grob et al. Chem and Ind (London) 1222 1955, Beilstein 4 III 1127, 4 IV 2369.] |
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