2-氨基-5,6-二氢-环戊烷并噻吩-3-羰酰胺结构式
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常用名 | 2-氨基-5,6-二氢-环戊烷并噻吩-3-羰酰胺 | 英文名 | 2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide |
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| CAS号 | 77651-38-8 | 分子量 | 182.24300 | |
| 密度 | 1.412g/cm3 | 沸点 | 308.2ºC at 760 mmHg | |
| 分子式 | C8H10N2OS | 熔点 | 169-171ºC | |
| MSDS | 美版 | 闪点 | 140.2ºC |
| 中文名 | 2-氨基-5,6-二氢-环戊烷并噻吩-3-羰酰胺 |
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| 英文名 | 2-amino-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxamide |
| 中文别名 | 2-氨基-5,6-二氢-4H-环戊烯并噻吩-3-甲酰胺 | 2-氨基-5,6-二氢-4H-环五[B]噻吩-3-羧基 酸 酰胺 |
| 英文别名 | 更多 |
| 密度 | 1.412g/cm3 |
|---|---|
| 沸点 | 308.2ºC at 760 mmHg |
| 熔点 | 169-171ºC |
| 分子式 | C8H10N2OS |
| 分子量 | 182.24300 |
| 闪点 | 140.2ºC |
| 精确质量 | 182.05100 |
| PSA | 97.35000 |
| LogP | 2.19940 |
| InChIKey | CIYGFKXNRTYHLB-UHFFFAOYSA-N |
| SMILES | NC(=O)c1c(N)sc2c1CCC2 |
| 折射率 | 1.702 |
| 储存条件 | 2-8℃ |
| 分子结构 | 1、 摩尔折射率:49.97 2、 摩尔体积(cm3/mol):128.9 3、 等张比容(90.2K):376.9 4、 表面张力(dyne/cm):72.9 5、 极化率(10-24cm3):19.81 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.4 2.氢键供体数量:2 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:5 6.拓扑分子极性表面积97.4 7.重原子数量:12 8.表面电荷:0 9.复杂度:209 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 |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | 22 |
| 安全声明 (欧洲) | 26-36/37/39 |
| 海关编码 | 2934999090 |
| 2-氨基-5,6-二氢-环戊烷并噻吩-3-羰酰胺上游产品 3 | |
|---|---|
| 2-氨基-5,6-二氢-环戊烷并噻吩-3-羰酰胺下游产品 2 | |
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 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 |
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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| 2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide |
| 4H-Cyclopenta[b]thiophene-3-carboxamide,2-amino-5,6-dihydro |
| 2-Amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide |
| MFCD00122463 |
| F1973-0020 |