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| CAS No.: | 590-46-5 |
|---|---|
| Name: | Methanaminium,1-carboxy-N,N,N-trimethyl-, chloride (1:1) |
| Article Data: | 11 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C5H12ClNO2 |
| Molecular Weight: | 153.609 |
| Synonyms: | ACIDOL;Achylin;Pluchine;carboxymethyl-trimethyl-ammonium chloride;Muriat;Achyin;Acidin;betainium chloride;betaine chloride;Euacid;carboxy-N,N,N-trimethylmethanaminium chloride;BET HCL;betain hydrochloride;Acinorm;Acidine; |
| EINECS: | 209-683-1 |
| Density: | 1 g/cm3 |
| Melting Point: | 241-242 °C(lit.) |
| Boiling Point: | N/A |
| Flash Point: | N/A |
| Solubility: | 64.7 g/100 mL (25 °C) in water |
| Appearance: | colorless to white crystals |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36-36/37/38-20/21/22 |
| Safety: | 26-39-24/25-36 |
| Transport Information: | N/A |
| PSA: | 37.30000 |
| LogP: | -3.21880 |
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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.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 8gm/kg (8000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FLUID INTAKE LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959. |
