N,N-bis(2-chloroethyl)-4-(isoquinolin-2-ylmethyl)aniline; 4-methylbenzenesulfonic acid

Modify Date: 2025-09-12 22:48:50

N,N-bis(2-chloroethyl)-4-(isoquinolin-2-ylmethyl)aniline; 4-methylbenzenesulfonic acid structure	Common Name	N,N-bis(2-chloroethyl)-4-(isoquinolin-2-ylmethyl)aniline; 4-methylbenzenesulfonic acid
	CAS Number	5563-12-2	Molecular Weight	531.49400
	Density	1.28g/cm3	Boiling Point	668.1ºC at 760 mmHg
	Molecular Formula	C₂₇H₂₈Cl₂N₂O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	314.3ºC

Name	2-(4-(bis(2-chloroethyl)amino)benzyl)isoquinolin-2-ium 4-methylbenzenesulfonate

Density	1.28g/cm3
Boiling Point	668.1ºC at 760 mmHg
Molecular Formula	C₂₇H₂₈Cl₂N₂O₃S
Molecular Weight	531.49400
Flash Point	314.3ºC
Exact Mass	530.12000
PSA	72.70000
LogP	6.43950
Index of Refraction	1.663
InChIKey	NTTLMGKMEVQHTP-UHFFFAOYSA-M
SMILES	Cc1ccc(S(=O)(=O)[O-])cc1.ClCCN(CCCl)c1ccc(C[n+]2ccc3ccccc3c2)cc1

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.