ACETYLCHOLINE BROMIDE

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The IUPAC name of Choline acetate (ester), bromide is 2-acetyloxyethyl(trimethyl)azanium bromide. With the CAS registry number 66-23-9, it is also named as Acetylcholine bromide. The product's categories are Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds. It is colorless crystal or white crystalline powder with alkali taste which is hygroscopic. This product is soluble in water and ethanol, and practically insoluble in ether and benzene. What's more, it is easy to decompose in hot water and alkaline solution. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.9; (4)ACD/LogD (pH 7.4): -3.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Rotatable Bond Count: 4; (13)Exact Mass: 225.036441; (14)MonoIsotopic Mass: 225.036441; (15)Topological Polar Surface Area: 26.3; (16)Heavy Atom Count: 11; (17)Complexity: 115.

Preparation and Uses of Choline acetate (ester), bromide: Ethylene oxide gas will entry into trimethylamine to get trimethylamine ethanol. After bromination of hydrobromic acid, acylation of acetic anhydride, and recrystallization of ethanol, we can get the product. Besides, this chemical is used as substrate for determination of acetylcholinesterase.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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:[Br-].O=C(OCC[N+](C)(C)C)C
2. InChI:InChI=1/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1 
3. InChIKey:ZEHGKSPCAMLJDC-REWHXWOFAF

The following are the toxicity data which has been tested.