前往化源商城

入驻化源商城

品牌现货直购

115-63-9

115-63-9结构式

常用中文名：甲硫己环铵
常用英文名：HEXOCYCLIUM METHYLSULFATE
CAS号：115-63-9
分子式：C₂₁H₃₆N₂O₅S
分子量：428.58600
发布时间：2018-08-13 10:20:29
更新时间：2024-01-29 20:30:02

化源商城直购

中文名	甲硫己环铵
英文名	1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol,methyl sulfate
英文别名	Oxoamyl salicylate Hexocyclium metilsulfate Hexocyclium methyl sulfate Traline EINECS 204-097-2 Hexacyclium methyl sulfate Tral Hexocyclium methosulfate

分子式	C₂₁H₃₆N₂O₅S
分子量	428.58600
精确质量	428.23400
PSA	98.28000
LogP	2.91700
计算化学	1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:1 3.氢键受体数量:6 4.可旋转化学键数量:4 5.互变异构体数量:无 6.拓扑分子极性表面积98.3 7.重原子数量:29 8.表面电荷:0 9.复杂度:453 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:1 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:2

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