Choline tosylate (55357-38-5)

The CAS register number of Choline tosylate is 55357-38-5. It also can be called as Choline 4-methylbenzenesulphonate salt 99% and the systematic name about this chemical is 2-hydroxy-N,N,N-trimethylethanaminium 4-methylbenzenesulfonate. Its molecular formula is C₁₂H₂₁NO₄S and molecular weight is 275.36.

Physical properties about Choline tosylate are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75Ų.

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. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O=S([O-])(=O)c1ccc(C)cc1.C[N+](C)(C)CCO
2.InChI: InChI=1/C7H8O3S.C5H14NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)4-5-7/h2-5H,1H3,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1
3.InChIKey: DVGVMQVOCJNXNJ-REWHXWOFAU
4.Std. InChI: InChI=1S/C7H8O3S.C5H14NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)4-5-7/h2-5H,1H3,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1