ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridine-4-carboxylate; 4-methylbenzenesulfonic acid

Modify Date: 2024-09-12 17:06:28

ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridine-4-carboxylate; 4-methylbenzenesulfonic acid structure	Common Name	ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridine-4-carboxylate; 4-methylbenzenesulfonic acid
	CAS Number	7237-85-6	Molecular Weight	553.49800
	Density	N/A	Boiling Point	159.8ºC at 760 mmHg
	Molecular Formula	C₂₆H₃₀Cl₂N₂O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	70ºC

Name	1-(4-(bis(2-chloroethyl)amino)benzyl)-4-(ethoxycarbonyl)pyridin-1-ium 4-methylbenzenesulfonate

Boiling Point	159.8ºC at 760 mmHg
Molecular Formula	C₂₆H₃₀Cl₂N₂O₅S
Molecular Weight	553.49800
Flash Point	70ºC
Exact Mass	552.12500
PSA	99.00000
LogP	5.46300
InChIKey	XREOMZWXJOFQQN-UHFFFAOYSA-M
SMILES	CCOC(=O)c1cc[n+](Cc2ccc(N(CCCl)CCCl)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

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