Isoquinolinium, 2-dodecyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI)

Modify Date: 2025-10-09 20:31:15

Isoquinolinium, 2-dodecyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI) structure	Common Name	Isoquinolinium, 2-dodecyl-, salt with 4-methylbenzenesulfonic acid (1:1) (9CI)
	CAS Number	5412-37-3	Molecular Weight	469.67900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₈H₃₉NO₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-dodecylisoquinolin-2-ium,4-methylbenzenesulfonate
Synonym	More Synonyms

Molecular Formula	C₂₈H₃₉NO₃S
Molecular Weight	469.67900
Exact Mass	469.26500
PSA	69.46000
LogP	8.02810
InChIKey	SZDIFSKUQQLAMT-UHFFFAOYSA-M
SMILES	CCCCCCCCCCCC[n+]1ccc2ccccc2c1.Cc1ccc(S(=O)(=O)[O-])cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX5425000

CHEMICAL NAME :: Isoquinolinium, 2-dodecyl-, p-toluenesulfonate

CAS REGISTRY NUMBER :: 5412-37-3

LAST UPDATED :: 198806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H32-N.C7-H7-O3-S

MOLECULAR WEIGHT :: 469.74

WISWESSER LINE NOTATION :: T66 CKJ C12 &Q &WSO&R D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3900 ug/kg

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

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,374,1954

2-Dodecylisoquinolinium tosylate

2-Dodecylisoquinolinium p-toluenesulfonate

ISOQUINOLINIUM,2-DODECYL-,p-TOLUENESULFONATE

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