N,N-bis[4-[(1-methylpyridin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid

Modify Date: 2024-09-13 20:35:49

N,N-bis[4-[(1-methylpyridin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid structure	Common Name	N,N-bis[4-[(1-methylpyridin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
	CAS Number	20719-18-0	Molecular Weight	701.81300
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₉H₃₇N₆O₅S+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	mono(4,4'-(((terephthaloylbis(azanediyl))bis(4,1-phenylene))bis(azanediyl))bis(1-methylpyridin-1-ium)) mono(4-methylbenzenesulfonate)

Molecular Formula	C₃₉H₃₇N₆O₅S+
Molecular Weight	701.81300
Exact Mass	701.25500
PSA	155.60000
LogP	7.59930

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UU6926230

CHEMICAL NAME :: Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1- methyl-, di-p-toluenesulfonate

CAS REGISTRY NUMBER :: 20719-18-0

LAST UPDATED :: 199409

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C32-H30-N6-O2.2C7-H7-O3-S

MOLECULAR WEIGHT :: 873.08

WISWESSER LINE NOTATION :: T6KJ A1 DMR DMVR DVMR DM- DT6KJ A1 &WSO&R D1 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD10 - Lethal Dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3100 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: DNA adduct

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 1300 nmol/L

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 22,134,1979