21176-92-1

21176-92-1 structure

21176-92-1 structure

Name: 4-(3,4-dimethyl-5-octyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline,iodide
Chemical Name: 4-(3,4-dimethyl-5-octyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline,iodide
CAS Number: 21176-92-1
Molecular Formula: C₂₁H₃₃IN₂S
Molecular Weight: 472.47000
Create Date: 2017-01-22 16:29:41
Modify Date: 2024-01-05 15:51:08

Name	4-(3,4-dimethyl-5-octyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline,iodide
Synonyms	2-(p-(Dimethylamino)phenyl)-3,4-dimethyl-5-octyl-thiazolium iodide 2-[4-(dimethylamino)phenyl]-3,4-dimethyl-5-octyl-1,3-thiazol-3-ium iodide Thiazolium,2-(p-(dimethylamino)phenyl)-3,4-dimethyl-5-octyl-,iodide

Molecular Formula	C₂₁H₃₃IN₂S
Molecular Weight	472.47000
Exact Mass	472.14100
PSA	36.18000
LogP	1.57290

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XJ7035000

CHEMICAL NAME :: Thiazolium, 2-(p-(dimethylamino)phenyl)-3,4-dimethyl-5-octyl-, iodide

CAS REGISTRY NUMBER :: 21176-92-1

LAST UPDATED :: 198405

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C21-H33-N2-S.I

MOLECULAR WEIGHT :: 472.52

WISWESSER LINE NOTATION :: T5K CSJ A1 BR DN1&1& D8 E1 &I

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

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: 11,1205,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 mg/kg

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

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: 11,1205,1968