Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate

Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate 基本信息
CAS号 31539-88-5 分子式 C9H13NO2
分子量 167.20500 精确质量  167.09500
PSA  29.54000 LogP  0.70680

基本信息 展开↓

CAS号:
31539-88-5
3D弹球模型:
立即前往扯扯看
分子式:
C9H13NO2
分子量:
167.20500
英文名称:
Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
英文别名:
Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate;
Dehydroquinuclidine-3-carboxylic acid;
Methyl dehydroquinuclidine-3-carboxylate;
3-methoxycarbonyl-2,3-didehydroquinuclidine
精确分子量/精确质量:
167.09500
极性分子表面积/PSA:
29.54000
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: SDEKJEJGZPSNFT-UHFFFAOYSA-N

物化性质展开↓

密度:
1.16g/cm3
沸点:
250.5ºC at 760mmHg
闪点:
103.4ºC
折射率:
1.538

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 57598-88-6

    3-羟基奎宁-3-羧酸甲酯

  • 31539-88-5

    Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate

  • 106037-35-8

    1-azabicyclo[2.2.2]oct-2-ene-3-carbonitrile

  • 31539-88-5

    Methyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CL6176000
CHEMICAL NAME :
1-Azabicyclo(2.2.2)oct-2-ene-3-carboxylic acid, methyl ester
CAS REGISTRY NUMBER :
31539-88-5
BEILSTEIN REFERENCE NO. :
0132895
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H13-N-O2
MOLECULAR WEIGHT :
167.23
WISWESSER LINE NOTATION :
T66 A B CN AUTJ AVO1

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 :
19 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 35,55,1972

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%

上下游相关产品

上游产品

更多
  • 106037-35-8

    1-Azabicyclo[2.2.2]oct-2-ene-3-carbonitrile

  • 57598-88-6

    3-羟基奎宁-3-羧酸甲酯

下游产品

更多
  • 106037-35-8

    1-Azabicyclo[2.2.2]oct-2-ene-3-carbonitrile

  • 100715-61-5

    1-azabicyclo[2.2.2]oct-2-ene-3-carboxamide

  • 98593-29-4

    1-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便