CAS 115-63-9|HEXOCYCLIUM METHYLSULFATE

Introduction:Basic information about CAS 115-63-9|HEXOCYCLIUM METHYLSULFATE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameHEXOCYCLIUM METHYLSULFATE
CAS Number115-63-9Molecular Weight428.58600
Density/Boiling Point/
Molecular FormulaC21H36N2O5SMelting Point/
MSDS/Flash Point/

Names

Name1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol,methyl sulfate
SynonymMore Synonyms

Chemical & Physical Properties

Molecular FormulaC21H36N2O5S
Molecular Weight428.58600
Exact Mass428.23400
PSA98.28000
LogP2.91700
InChIKeyNSILVESQCSUIAJ-UHFFFAOYSA-M
SMILESCOS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM3125000
CHEMICAL NAME :
Piperazinium, 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethy l-, methyl sulfate
CAS REGISTRY NUMBER :
115-63-9
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H33-N2-O.C-H3-O4-S
MOLECULAR WEIGHT :
428.65
WISWESSER LINE NOTATION :
T6K DNTJ A1 A1 DXQ1R&- AL6TJ &WSQO1

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 :
8900 ug/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#01104 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
120 mg/kg
SEX/DURATION :
female 9-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - physical
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,1475,1971

Synonyms

Oxoamyl salicylate
Hexocyclium metilsulfate
Hexocyclium methyl sulfate
Traline
EINECS 204-097-2
Hexacyclium methyl sulfate
Tral
Hexocyclium methosulfate
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