Methanaminium,1-carboxy-N,N,N-trimethyl-, chloride (1:1) (590-46-5)

The IUPAC name of this chemical is?carboxymethyl(trimethyl)azanium chloride. With the?CAS registry number 590-46-5,?it is also named as Betaine hydrochloride.?The product's categorie is quaternary ammonium compound. It is?colorless to white crystal?which is soluble in water and?ethanol, almost insoluble in chloroform and ether. In addition, this chemical should be stored in the cool and dry place.

The other characteristics of this product 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: 2; (13)Exact Mass: 153.055656; (14)MonoIsotopic Mass: 153.055656; (15)Topological Polar Surface Area: 37.3; (16)Heavy Atom Count: 9; (17)Complexity: 93.1.

Uses of (Carboxymethyl)trimethylammonium chloride: It is a kind of betaine?which is used as efficient animal growth promoters. It is also used as food and feed additives. Additionally, this chemical is used?as gastrointestinal function regulator in?pharmaceutical grade.

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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=C(O)C[N+](C)(C)C
2.?InChI:InChI=1/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
3. InChIKey:HOPSCVCBEOCPJZ-UHFFFAOYAG

The following are the toxicity data which has been tested.

The IUPAC name of this chemical is?carboxymethyl(trimethyl)azanium chloride. With the?CAS registry number 590-46-5,?it is also named as Betaine hydrochloride.?The product's categorie is quaternary ammonium compound. It is?colorless to white crystal?which is soluble in water and?ethanol, almost insoluble in chloroform and ether. In addition, this chemical should be stored in the cool and dry place.

The other characteristics of this product 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: 2; (13)Exact Mass: 153.055656; (14)MonoIsotopic Mass: 153.055656; (15)Topological Polar Surface Area: 37.3; (16)Heavy Atom Count: 9; (17)Complexity: 93.1.

Uses of (Carboxymethyl)trimethylammonium chloride: It is a kind of betaine?which is used as efficient animal growth promoters. It is also used as food and feed additives. Additionally, this chemical is used?as gastrointestinal function regulator in?pharmaceutical grade.

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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=C(O)C[N+](C)(C)C
2.?InChI:InChI=1/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
3. InChIKey:HOPSCVCBEOCPJZ-UHFFFAOYAG

The following are the toxicity data which has been tested.

Used to treat a lack of or defect in certain enzymes that causes too much homocysteine in the blood and urine.