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

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Names

[ CAS No. ]:
93101-68-9

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

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

Related Compounds

  • MANDELIC ACID, alpha-CYCLOPENTYL-, (1-AZABICYCLO(2.2.2)OCT-2-EN-3-YL)M ETHYL ESTE
  • MANDELIC ACID, alpha-ISOPROPYL-, 1-METHYL-1,2,5,6-TETRAHYDRO-3-PYRIDYL METHYL EST
  • 1-AZABICYCLO[2.2.2]OCT-2-ENE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
  • (6R-trans)-1-[[2-carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium chloride
  • 4-[2-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-pyridinium chloride hydrochloride
  • 1-[((7R)-7-AMINO-4-CARBOXY-3,4-DIDEHYDROCEPHAM-3-YL)METHYL]PYRIDINIUM IODIDE
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