Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
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Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
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CAS No:
55357-38-5
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Formula:
C7H7O3S.C5H14NO
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Chemical Name:
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
Ethanaminium,2-hydroxy-N,N,N-trimethyl-,4-methylbenzenesulfonate (1:1);Ethanaminium,2-hydroxy-N,N,N-trimethyl-,salt with 4-methylbenzenesulfonic acid (1:1);Choline p-toluenesulfonate;Choline toluenesulfonate;Choline tosylate;56345-24-5;70778-74-4
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CAS No:
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1) Basic Attributes
275.36
275.11900
2923900090
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
Irritant/Hygroscopic/Light Sensitive
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1) Use and Manufacturing
22.3 g (250 mmol) of dimethylaminoethanol and 1 L of THF were placed in a four-necked flask (2 L), and the mixture was stirred at room temperature. 250 mL of a THF solution of 51.2 g (275 mol) of methyl tosylate was added dropwise and the mixture was stirred at room temperature for 24 hours. THF was distilled off, and the desired product was purified by recrystallization with 1 L of acetone. Colorless solid Yield 95percent.
Computed Properties
Molecular Weight:275.37
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:275.11912932
Monoisotopic Mass:275.11912932
Topological Polar Surface Area:85.8
Heavy Atom Count:18
Complexity:240
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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