3-Quinuclidyl phenyl(trans-1-propenyl)glycolate

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Names

[ CAS No. ]:
101711-16-4

[ Name ]:
3-Quinuclidyl phenyl(trans-1-propenyl)glycolate

[Synonym ]:
3-Quinuclidyl phenyl(trans-1-propenyl)glycolate
1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylpent-3-enoate

Chemical & Physical Properties

[ Density]:
1.19g/cm3

[ Boiling Point ]:
445ºC at 760mmHg

[ Molecular Formula ]:
C18H23NO3

[ Molecular Weight ]:
301.38000

[ Flash Point ]:
222.9ºC

[ Exact Mass ]:
301.16800

[ PSA ]:
49.77000

[ LogP ]:
2.02560

[ Vapour Pressure ]:
1.06E-08mmHg at 25°C

[ Index of Refraction ]:
1.595

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO7918000
CHEMICAL NAME :
Mandelic acid, alpha-propenyl-, 3-quinuclidinyl ester
CAS REGISTRY NUMBER :
101711-16-4
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H23-N-O3
MOLECULAR WEIGHT :
301.42
WISWESSER LINE NOTATION :
T66 A B CNTJ AOVXQR&1U2

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 :
45 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#11506

Related Compounds

  • 3-Quinuclidyl phenyl(2-propenyl)glycolate
  • 2-methyl-3-(trans-1-propenyl)-2-cyclopentenone
  • (1-methylpiperidin-4-yl) (E)-2-hydroxy-2-phenylpent-3-enoate
  • 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylhex-3-ynoate
  • 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-phenylhex-3-enoate
  • 1-azabicyclo[2.2.2]octan-3-yl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
  • (2S)-2-(2,4,6-trimethoxyphenyl)oxirane
  • (2R,6R)-4-(Azetidin-3-yl)-2,6-dimethylmorpholine
  • Isoquinolin-1-yl(7-(o-tolyl)-1,4-thiazepan-4-yl)methanone
  • 2-Cyclopropyl-1-(7-(o-tolyl)-1,4-thiazepan-4-yl)ethanone
  • 6-(2-Chloropyridin-3-yl)quinoxaline
  • 1-(2,2-Dimethylpropyl)-1H-indazole-4-carboxylic acid methyl ester
  • (S)-tert-butyl 3-(2-(3-(4-((1H-indazol-5-yl)amino)pyrimidin-2-yl)phenoxy)acetamido)pyrrolidine-1-carboxylate
  • N-(1-(2,6-Difluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
  • tert-butyl N-[2-(2-morpholin-4-ylethoxy)phenyl]carbamate
  • 2-(2-Bromo-6-(methylthio)phenyl)acetic acid
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