101711-16-4

101711-16-4 structure
101711-16-4 structure
  • Name: 3-Quinuclidyl phenyl(trans-1-propenyl)glycolate
  • Chemical Name: 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-phenylpent-3-enoate
  • CAS Number: 101711-16-4
  • Molecular Formula: C18H23NO3
  • Molecular Weight: 301.38000
  • Create Date: 2018-06-21 10:36:39
  • Modify Date: 2024-10-03 11:56:58

Name 1-azabicyclo[2.2.2]octan-3-yl (E)-2-hydroxy-2-phenylpent-3-enoate
Synonyms 3-Quinuclidyl phenyl(trans-1-propenyl)glycolate
1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylpent-3-enoate
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

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