1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-4-yl]ethanone; 4-methylbenzenesulfonic acid

Modify Date: 2024-01-08 18:18:15

1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-4-yl]ethanone; 4-methylbenzenesulfonic acid structure	Common Name	1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-4-yl]ethanone; 4-methylbenzenesulfonic acid
	CAS Number	6563-04-8	Molecular Weight	523.47200
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₈Cl₂N₂O₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-yl]ethanone,4-methylbenzenesulfonate

Molecular Formula	C₂₅H₂₈Cl₂N₂O₄S
Molecular Weight	523.47200
Exact Mass	522.11500
PSA	89.77000
LogP	5.48890
InChIKey	OARFASOHCOWZJE-UHFFFAOYSA-M
SMILES	CC(=O)c1cc[n+](Cc2ccc(N(CCCl)CCCl)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

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