3-(4-benzyl-1-methylpiperidin-1-ium-1-yl)propyl-trimethylazanium,dibromide

3-(4-benzyl-1-methylpiperidin-1-ium-1-yl)propyl-trimethylazanium,dibromide 基本信息
CAS号 21199-23-5 分子式 C19H34Br2N2
分子量 450.29500 精确质量  448.10900
PSA  0.00000 LogP  -2.85120

基本信息 展开↓

CAS号:
21199-23-5
3D弹球模型:
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分子式:
C19H34Br2N2
分子量:
450.29500
英文名称:
3-(4-benzyl-1-methylpiperidin-1-ium-1-yl)propyl-trimethylazanium,dibromide
英文别名:
3-(4-benzyl-1-methylpiperidin-1-ium-1-yl)propyl-trimethylazanium,dibromide;
4-Benzyl-1-methyl-1-(3-(trimethylammonio)propyl)piperidinium dibromide;
Piperidinium,4-benzyl-1-methyl-1-(3-(trimethylammonio)propyl)-,dibromide
精确分子量/精确质量:
448.10900
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: GTNJUOVPVNHRHC-UHFFFAOYSA-M

安全信息展开↓

海关代码:
2933399090

合成路线查看所有的合成路线

  • 2116-65-6

    4-苄基吡啶

  • 21199-23-5

    3-(4-benzyl-1-methylpiperidin-1-ium-1-yl)propyl-trimethylazanium,dibromide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN4434400
CHEMICAL NAME :
Piperidinium, 4-benzyl-1-methyl-1-(3-(trimethylammonio)propyl)-, dibromide
CAS REGISTRY NUMBER :
21199-23-5
LAST UPDATED :
198608
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H34-N2.2Br
MOLECULAR WEIGHT :
450.37

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 :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 120,438,1957

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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