Methanaminium,1-carboxy-N,N,N-trimethyl-, hydroxide (1:1) (590-47-6)

The IUPAC name of Methanaminium,1-carboxy-N,N,N-trimethyl-, hydroxide (1:1) is 2-(trimethylazaniumyl)acetate hydrate. With the CAS registry number 590-47-6, it is also named as Betaine monohydrate. It is white crystals or crystalline powder which is easily soluble in water and soluble in methanol. Additionally, this chemical can be used in medicine, food additives, feed additives, cosmetics and other industry. Moreover, it should be sealed in the container and placed in the cool and dry aera.

The other characteristics of Methanaminium,1-carboxy-N,N,N-trimethyl-, hydroxide (1:1) can be summarized as: (1)ACD/LogP: -3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -2.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.61; (8)ACD/KOC (pH 7.4): 1.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Rotatable Bond Count: 1; (13)Exact Mass: 135.089543; (14)MonoIsotopic Mass: 135.089543; (15)Topological Polar Surface Area: 41.1; (16)Heavy Atom Count: 9; (17)Complexity: 87.6.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:[OH-].O=C(O)C[N+](C)(C)C
2. InChI:InChI=1/C5H11NO2.H2O/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H2 
3. InChIKey:NJZRLXNBGZBREL-UHFFFAOYAL