1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷

1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷 基本信息
CAS号 2288-13-3 分子式 C7H15NO3Si
分子量 189.28400 精确质量  189.08200
PSA  30.93000 LogP  -0.12800

基本信息 展开↓

CAS号:
2288-13-3
3D弹球模型:
立即前往扯扯看
分子式:
C7H15NO3Si
分子量:
189.28400
中文名称:
1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷
英文名称:
5-methyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
中文别名:
1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷;
3,3-Diphenylpropionitrile;
3,3-Diphenyl-propionitrile;
Benzenepropanenitrile, .beta.-phenyl-;
Benzenepropanenitrile, beta-phenyl-;
Propionitrile, 3,3-diphenyl-;
3,3-diphenylpropanenitrile;
3,3-Diphenylpropiononitrile;
Diphenylpropionitrile;
3-[hexadecyl(dimethyl)ammonio]propane-1-sulfonate;
3-(N,N-dimethylpalmitylammonio) propane sulfonate;
(6Z)-non-6-enal;
C.I. Vat Red 1;
N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine-2-sulfonamide methanesulfonate (1:2);
Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester;
Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-;
Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E);
Geranyl isobutyrate;
4-hydroxyl TEMPO;
free radical of nitroxide;
4-hydroxyl-2,2,6,6-tetramethylpiperidine-1-Oxyl;
polymerization inhibitor701;
High-efficiency Inhibitor ZJ-701;
4-Hydroxyl-2,2,6,6-tetramethyl-piperidin-1-oxyl free radical;
4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl;
Polymerization inhibitor 701;
4-hydroxy
英文别名:
5-methyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane;
1-Methyl-2,8,9-trioxo-5-aza-1-silabicyclo(3.3.3)undecane;
(TB-5-23)-(2,2',2''-azanetriyl-tris-ethanolato(3-)-N,O,O',O'')-methyl-silicon;
Methylsilatran [German];
2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane,1-methyl;
1-Methylsilatrane;
Methylsilatran;
Methylsilatrane;
1-Methyl-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane;
5-methyl-silitrane;
EINECS 218-928-1
精确分子量/精确质量:
189.08200
极性分子表面积/PSA:
30.93000
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。
EINECS:
218-928-1
InChI:
InChI=1/C7H15NO3Si/c1-12-8(2-5-9-12,3-6-10-12)4-7-11-12/h2-7H2,1H3

物化性质展开↓

外观与性状:
白色粉末
密度:
1.12 g/cm3
熔点:
152ºC
沸点:
228.1ºC at 760 mmHg
闪点:
91.7ºC

安全信息展开↓

海关代码:
2934999090
危险类别码:
R22

合成路线查看所有的合成路线

  • 2031-67-6

    甲基三乙氧基硅烷

  • +

  • 135718-12-6

    135718-12-6

  • ~86%

  • 2288-13-3

    1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷

  • 75-79-6

    甲基三氯硅烷

  • +

  • 20836-42-4

    2-trimethylsilyloxy-N,N-bis(2-trimethylsilyloxyethyl)ethanamine

  • ~79%

  • 75-77-4

    三甲基氯硅烷

  • +

  • 2288-13-3

    1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷

  • 2031-67-6

    甲基三乙氧基硅烷

  • +

  • 118162-82-6

    2-methyl-2-phenyl-6-(2-hydroxyethyl)-1,3,6,2-dioxazasilocane

  • ~77%

  • 2288-13-3

    1-甲基-2,8,9-三氧杂-5-氮杂-1-硅杂二环[3.3.3]十一烷

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YJ9035500
CHEMICAL NAME :
2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-methyl-
CAS REGISTRY NUMBER :
2288-13-3
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H15-N-O3-Si

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 26,224,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
840 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 26,224,1970

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:30.9

7.重原子数量:12

8.表面电荷:0

9.复杂度:140

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:0

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:1

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