1-乙酰基-6-氨基吲哚结构式
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常用名 | 1-乙酰基-6-氨基吲哚 | 英文名 | 1-ACETYL-6-AMINOINDOLINE |
|---|---|---|---|---|
| CAS号 | 62368-29-0 | 分子量 | 176.21500 | |
| 密度 | 1.231 g/cm3 | 沸点 | 453.2ºC at 760 mmHg | |
| 分子式 | C10H12N2O | 熔点 | 182ºC | |
| MSDS | 中文版 美版 | 闪点 | 227.9ºC | |
| 符号 |
GHS07 |
信号词 | Warning |
| 中文名 | 1-乙酰基-6-氨基吲哚 |
|---|---|
| 英文名 | 1-Acetyl-6-aminoindoline |
| 中文别名 | 1-乙酰基-6-氨基-2,3-二氢-(1H)-吲哚 |
| 英文别名 | 更多 |
| 密度 | 1.231 g/cm3 |
|---|---|
| 沸点 | 453.2ºC at 760 mmHg |
| 熔点 | 182ºC |
| 分子式 | C10H12N2O |
| 分子量 | 176.21500 |
| 闪点 | 227.9ºC |
| 精确质量 | 176.09500 |
| PSA | 46.33000 |
| LogP | 1.82400 |
| InChIKey | LOZKZWIQDVEDCQ-UHFFFAOYSA-N |
| SMILES | CC(=O)N1CCc2ccc(N)cc21 |
| 外观性状 | 黄色至黄褐色的粉末 |
| 折射率 | 1.628 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):0.6 2.氢键供体数量:1 3.氢键受体数量:2 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:46.3 7.重原子数量:13 8.表面电荷:0 9.复杂度:217 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 |
| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H302-H319 |
| 警示性声明 | P305 + P351 + P338 |
| 个人防护装备 | dust mask type N95 (US);Eyeshields;Gloves |
| 危害码 (欧洲) | Xn: Harmful; |
| 风险声明 (欧洲) | R22 |
| 危险品运输编码 | NONH for all modes of transport |
| 海关编码 | 2933990090 |
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~99%
1-乙酰基-6-氨基吲哚 62368-29-0 |
| 文献:Yamada, Yaeko; Akiba, Ai; Arima, Shiho; Okada, Chiharu; Yoshida, Kiminari; Itou, Fumihiro; Kai, Toshitsugu; Satou, Toshiko; Takeda, Kazuyoshi; Harigaya, Yoshihiro Chemical and Pharmaceutical Bulletin, 2005 , vol. 53, # 10 p. 1277 - 1290 |
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~%
1-乙酰基-6-氨基吲哚 62368-29-0 |
| 文献:European Journal of Medicinal Chemistry, , vol. 40, # 2 p. 167 - 172 |
|
~%
1-乙酰基-6-氨基吲哚 62368-29-0 |
| 文献:Chemical and Pharmaceutical Bulletin, , vol. 53, # 10 p. 1277 - 1290 |
|
~%
1-乙酰基-6-氨基吲哚 62368-29-0 |
| 文献:Heteroatom Chemistry, , vol. 16, # 1 p. 39 - 43 |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 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 |
| 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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External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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来源:NCGC
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External Id:TDP1100
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External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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| 1-(6-amino-2,3-dihydroindol-1-yl)ethanone |