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
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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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
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