Betaine

Details:

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: