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

Modify Date: 2024-01-28 20:21:46

Benzeneacetic acid, α-hydroxy-α-1-propyn-1-yl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride Structure
Benzeneacetic acid, α-hydroxy-α-1-propyn-1-yl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride structure
 Common Name Benzeneacetic acid, α-hydroxy-α-1-propyn-1-yl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride
CAS Number 92956-06-4 Molecular Weight 337.84100
Density N/A Boiling Point N/A
Molecular Formula C18H24ClNO3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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

 Chemical & Physical Properties

Molecular Formula C18H24ClNO3
Molecular Weight 337.84100
Exact Mass 337.14400
PSA 49.77000
LogP 2.52240
InChIKey UJUVWGIKJDOTSI-UHFFFAOYSA-N
SMILES CC#CC(O)(C(=O)OCC1CC[NH+](C)CC1)c1ccccc1.[Cl-]

 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

 Synonyms

(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
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Chemsrc provides CAS#:92956-06-4 MSDS, density, melting point, boiling point, structure, etc. Its name is Benzeneacetic acid, α-hydroxy-α-1-propyn-1-yl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride>> amp version: Benzeneacetic acid, α-hydroxy-α-1-propyn-1-yl-, (1-methyl-4-piperidinyl)methyl ester, hydrochloride

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