3-[4-(2-indol-1-ylethyl)pyridin-1-ium-1-yl]propyl-trimethylazanium,bromide

3-[4-(2-indol-1-ylethyl)pyridin-1-ium-1-yl]propyl-trimethylazanium,bromide 基本信息
CAS号 21199-41-7 分子式 C21H29BrN3+
分子量 403.37900 精确质量  402.15400
PSA  8.81000 LogP  0.27180

基本信息 展开↓

CAS号:
21199-41-7
3D弹球模型:
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分子式:
C21H29BrN3+
分子量:
403.37900
英文名称:
3-[4-(2-indol-1-ylethyl)pyridin-1-ium-1-yl]propyl-trimethylazanium,bromide
英文别名:
3-[4-(2-indol-1-ylethyl)pyridin-1-ium-1-yl]propyl-trimethylazanium,bromide;
4-(2-Indol-1-yl-aethyl)-1-(3-trimethylammonio-propyl)-pyridinium,Dibromid;
4-(1H-imidazol-2-yl)phthalazin-1(2H)-one;
4-(2-Imidazolyl)-phthalazone;
4-(2-indol-1-yl-ethyl)-1-(3-trimethylammonio-propyl)-pyridinium,dibromide;
4-(1H-imidazol-2-yl)-2H-phthalazin-1-one
精确分子量/精确质量:
402.15400
极性分子表面积/PSA:
8.81000
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: WJERCASRXVXGED-UHFFFAOYSA-M

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 131732-22-4

    3-(N,N,N-trimethylammonio)propyl bromide

  • +

  • 13585-81-4

    1H-Indole, 1-[2-(4-pyridinyl)ethyl]-

  • 21199-41-7

    3-[4-(2-indol-1-ylethyl)pyridin-1-ium-1-yl]propyl-trimethylazanium,bromide

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UU5691650
CHEMICAL NAME :
Pyridinium, 4-(2-indol-1-ylethyl)-1-(3-(trimethylammonio)propyl)- , dibromide
CAS REGISTRY NUMBER :
21199-41-7
LAST UPDATED :
198608
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H29-N3.2Br
MOLECULAR WEIGHT :
483.35

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 :
8500 ug/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:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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  • 131732-22-4

    3-(N,N,N-trimethylammonio)propyl bromide

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