1-[2-hydroxy-3-(4-methylphenyl)sulfonyloxy-propyl]-1-methyl-1-azoniacyclobutan-3-ol; 4-methylbenzenesulfonic acid

Modify Date: 2025-09-28 11:42:46

1-[2-hydroxy-3-(4-methylphenyl)sulfonyloxy-propyl]-1-methyl-1-azoniacyclobutan-3-ol; 4-methylbenzenesulfonic acid structure	Common Name	1-[2-hydroxy-3-(4-methylphenyl)sulfonyloxy-propyl]-1-methyl-1-azoniacyclobutan-3-ol; 4-methylbenzenesulfonic acid
	CAS Number	985-73-9	Molecular Weight	487.58700
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₉NO₈S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	[2-hydroxy-3-(3-hydroxy-1-methylazetidin-1-ium-1-yl)propyl] 4-methylbenzenesulfonate,4-methylbenzenesulfonate

Molecular Formula	C₂₁H₂₉NO₈S₂
Molecular Weight	487.58700
Exact Mass	487.13300
PSA	157.79000
LogP	2.90180
InChIKey	DGDNCYIYAHZNIM-UHFFFAOYSA-M
SMILES	Cc1ccc(S(=O)(=O)OCC(O)C[N+]2(C)CC(O)C2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

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