Mandelic acid, alpha-isopropyl-, (1-azabicyclo(2.2.2.)oct-2-en-3-yl)methyl ester, hydrochloride

Modify Date: 2024-02-06 10:23:39

Mandelic acid, alpha-isopropyl-, (1-azabicyclo(2.2.2.)oct-2-en-3-yl)methyl ester, hydrochloride structure	Common Name	Mandelic acid, alpha-isopropyl-, (1-azabicyclo(2.2.2.)oct-2-en-3-yl)methyl ester, hydrochloride
	CAS Number	93101-68-9	Molecular Weight	351.86800
	Density	1.18g/cm3	Boiling Point	470.2ºC at 760 mmHg
	Molecular Formula	C₁₉H₂₆ClNO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	238.2ºC

Name	1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-hydroxy-3-methyl-2-phenylbutanoate

Density	1.18g/cm3
Boiling Point	470.2ºC at 760 mmHg
Molecular Formula	C₁₉H₂₆ClNO₃
Molecular Weight	351.86800
Flash Point	238.2ºC
Exact Mass	351.16000
PSA	49.77000
LogP	3.42280
Index of Refraction	1.586

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO7500000

CHEMICAL NAME :: Mandelic acid, alpha-isopropyl-, (1-azabicyclo(2.2.2.)oct-2-en-3-yl)methyl ester, hydrochloride

CAS REGISTRY NUMBER :: 93101-68-9

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H25-N-O3.Cl-H

MOLECULAR WEIGHT :: 351.91

WISWESSER LINE NOTATION :: T66 A B CN AUTJ A1OVXQR&Y1&1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 24 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11798