MDL | MFCD00051993 |
InChIKey | DNJFTXKSFAMXQF-UHFFFAOYSA-N |
Inchi | 1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10) |
SMILES | O([H])C(C1=C([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C1([H])[H])=O |
BRN | 0112366 |
LogP | 0.27080 |
PSA | 40.54000 |
折射率 | 1.5026 (estimate) |
沸点 | 104-112 ºC (14-16 Torr) |
熔点 | 232 ºC (dec.) |
闪点 | 115.1±25.9 ºC, |
溶解度 | 溶解 (44 g/L) (25 ºC), |
颜色与性状 | Powder |
密度 | 1.166±0.06 g/cm3 (20 ºC 760 Torr), |
精确分子量 | 141.07900 |
氢键供体数量 | 1 |
氢键受体数量 | 3 |
可旋转化学键数量 | 1 |
同位素质量 | 141.078978594 g/mol |
重原子数量 | 10 |
复杂度 | 174 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 0 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | -2.3 |
拓扑分子极性表面积 | 40.5 |
分子量 | 141.17 |
储存条件 | Sealed in dry,2-8°C |
EINECS | 76017 |
海关编码 | 2933399090 |
海关数据 |
中国海关编码:2933399090概述:2933399090. 其他结构含非稠合吡啶环的化合物. 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:2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
1.
Index of subjects
J. Chem. Soc. Abstr. 1902 82 B811
2.
Image to insight: exploring natural products through mass spectrometry imaging
Yonghui Dong,Asaph Aharoni Nat. Prod. Rep. 2022 39 1510
3.
Dopamine-modified TiO2 monolith-assisted LDI MS imaging for simultaneous localization of small metabolites and lipids in mouse brain tissue with enhanced detection selectivity and sensitivity
Qian Wu,James L. Chu,Stanislav S. Rubakhin,Martha U. Gillette,Jonathan V. Sweedler Chem. Sci. 2017 8 3926
4.
Melatonin as an inducer of arecoline and their coordinated roles in anti-oxidative activity and immune responses
Xiaojian Yin,Yunxie Wei,Wei Song,He Zhang,Guoyin Liu,Yan Chen,Lan-Zhu Li,Raphael N. Alolga,Gaoxiang Ma,Russel J. Reiter,Jia Li,Haitao Shi Food Funct. 2020 11 8788
5.
Organic chemistry
J. Chem. Soc. Abstr. 1902 82 A333
6.
Organic chemistry
J. Chem. Soc. Abstr. 1918 114 i1
7.
Organic chemistry
James Colquhoun Irvine,Frank Lee Pyman,A. W. Stewart Annu. Rep. Prog. Chem. 1918 15 48
8.
Organic chemistry
James Colquhoun Irvine,Frank Lee Pyman,A. W. Stewart Annu. Rep. Prog. Chem. 1918 15 48
9.
Organic chemistry
J. Chem. Soc. Abstr. 1908 94 A1
10.
Organic chemistry
J. Chem. Soc. Abstr. 1918 114 i369
物理化学性质
熔点 : 232°C (dec.)
产品用途
应用领域
上下游产品信息
化学品安全说明书(MSDS)
储运特性