590-47-6

Name	Betaine monohydrate
CAS	590-47-6
EINECS(EC#)	203-490-6
Molecular Formula	C5H13NO3
MDL Number	MFCD00150010
Molecular Weight	135.16
MOL File	590-47-6.mol

Chemical Properties

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

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 . less more
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 . less more
WGK Germany	1
HS Code	29239000

Hazard Information

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 K_m and V_max 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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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