Choline tosylate supplier | CasNO.55357-38-5

Name
Choline tosylate
EINECS
CAS No. 55357-38-5
Article Data7
CAS DataBase
Density
Solubility
Melting Point 95 ºC
Formula C₅H₁₄NO^.C₇H₇O₃S;C₁₂H₂₁NO₄S
Boiling Point
Molecular Weight 275.369
Flash Point
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Choline 4-methylbenzenesulphonate salt;
PSA 85.81000
LogP 1.66480

Choline tosylate Specification

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: 62.75Å².

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

Product Name

Choline tosylate

Choline tosylate Specification

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