1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate,sulfuric acid,dihydrate

Modify Date: 2024-07-22 15:05:59

1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate,sulfuric acid,dihydrate structure	Common Name	1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate,sulfuric acid,dihydrate
	CAS Number	63716-96-1	Molecular Weight	776.93500
	Density	N/A	Boiling Point	442.2ºC at 760 mmHg
	Molecular Formula	C₄₂H₅₂N₂O₁₀S	Melting Point	N/A
	MSDS	N/A	Flash Point	145.9ºC

Name	1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate,sulfuric acid,dihydrate

Boiling Point	442.2ºC at 760 mmHg
Molecular Formula	C₄₂H₅₂N₂O₁₀S
Molecular Weight	776.93500
Flash Point	145.9ºC
Exact Mass	776.33400
PSA	160.52000
LogP	7.08700

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VD6550000

CAS REGISTRY NUMBER :: 63716-96-1

LAST UPDATED :: 199009

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C42-H46-N2-O4.H2-O4-S.2H2-O

MOLECULAR WEIGHT :: 777.02

WISWESSER LINE NOTATION :: T66 A B CNTJ AOVYR&R 2 &WSQQ &QH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 159 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 28 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 20 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,291,1952