Benzeneacetic acid, α-hydroxy-α-1-propyn-1-yl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride

Names

[ CAS No. ]:
92956-06-4

[ Name ]:
Benzeneacetic acid, α-hydroxy-α-1-propyn-1-yl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride

[Synonym ]:
(1-methylpiperidin-1-ium-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoatechloride
Benzeneacetic acid, α-hydroxy-α-1-propynyl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride

Chemical & Physical Properties

[ Molecular Formula ]:
C18H24ClNO3

[ Molecular Weight ]:
337.84100

[ Exact Mass ]:
337.14400

[ PSA ]:
49.77000

[ LogP ]:
2.52240

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO7939000
CHEMICAL NAME :
Mandelic acid, alpha-(1-propynyl)-, (1-methyl-4-piperidyl)methyl ester, hydrochloride
CAS REGISTRY NUMBER :
92956-06-4
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H23-N-O3.Cl-H
MOLECULAR WEIGHT :
337.88
WISWESSER LINE NOTATION :
T6NTJ A1 D1OVXQR&1UU2 &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 :
56 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#11475

Related Compounds

  • 3-Cyclopentylbenzyl alcohol
  • 5-Chloro-2-pyridin-2-yl-pyrimidine
  • 2,4-Dichloro-7-(methylsulfonyl)thieno[3,2-d]pyrimidine
  • 2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]quinoxaline
  • 2-[5-(2,2-Dimethylpropoxy)pyridin-2-yl]-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one
  • 2-[(5-Nitropyridin-2-yl)amino]ethanol hydrochloride
  • N-Benzyl-3-methyl-2-butanamine hydrochloride
  • 2-(Fluoromethyl)pyrrolidine hydrochloride
  • Methyl N-[(benzyloxy)carbonyl]-3,3,3-trifluoro-2-(2-furyl)alaninate
  • 3-((3-fluorophenyl)(4-(pyridin-2-yl)piperazin-1-yl)methyl)-4-hydroxy-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2(1H)-one
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