3,4-二氢-6,7-亚甲二氧基-1-异喹诺酮 | 21796-14-5
3,4-二氢-6,7-亚甲二氧基-1-异喹诺酮
noroxyhydrastinine
21796-14-5
C10H9NO3
191.18336
名称和标识符
InChIKey |
VSOJKDUWYQCWFM-UHFFFAOYSA-N |
Inchi |
InChI=1S/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12) |
SMILES |
O=C1NCCC2=CC3OCOC=3C=C12 |
别名信息
- 中文别名 -
- 3,4-二氢-6,7-亚甲二氧基-1-异喹诺酮
- 降氧化北美黄连次碱
- 7,8-二氢-1,3-二恶茂并[4,5-G]异喹啉-5(6H)-酮
- 7,8-二氢-1,3-二恶茂并[4,5-g]异喹啉-5(6H)-酮
- 英文别名 -
- noroxyhydrastinine
- 7,8-DIHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-5(6H)-ONE
- AKOS 236-14
- 1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro- (8CI)(9CI)
- 3,4-Dihydro-6,7-methylenedioxy-1(2H)-isoquinolinone
- 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one,7,8-dihydro-
- 7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
- 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydroisoquinoline
- 6,7-methylenedioxy-3,4-dihydro-2H-isoquinol-1-one
- 6,7-methylenedioxy-3,4-dihydroisocarbostyril
- norhydrastinine
- VSOJKDUWYQCWFM-UHFFFAOYSA
- NSC 201020
- InChI=1/C10H9NO3/c12-10-7-4-9-8(13-5-14-9)3-6(7)1-2-11-10/h3-4H,1-2,5H2,(H,11,12)
- HY-N8452
- AKOS000277625
- HW76Y3GT55
- MLS000546669
- NSC-201020
- NCGC00247079-01
- Noroxyhydrastinine
- SCHEMBL564339
- 21796-14-5
- NSC201020
- HMS2346J04
- CHEMBL449731
- 6,7-methylenedioxy-1-oxo-1,2,3,4-tetrahydro-isoquinoline
- DTXSID30176207
- 7,8-Dihydro-1,3-dioxolo[4,5-g]isoquinolin-5(6H)-one
- 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
- CS-0144274
- SMR000113841
- VSOJKDUWYQCWFM-UHFFFAOYSA-
- 1,3-Dioxolo[4,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-
- 7,8-Dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one #
- FS-7042
- 1,3-Dioxolo(4,5-g)isoquinolin-5(6H)-one, 7,8-dihydro-
- 1,5-g]isoquinolin-5(6H)-one, 7,8-dihydro-
- 7, 8-dihydro-6H-[1, 3]dioxolo[4, 5-g]isoquinolin-5-one
- 7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
物化性质
实验特性
LogP |
1.03000 |
PSA |
47.56000 |
折射率 |
1.602 |
沸点 |
506.6°Cat760mmHg |
熔点 |
189 ºC |
闪点 |
260.2°C |
溶解度 |
Very 微溶 (0.63 g/L) (25 ºC), |
颜色与性状 |
Powder |
密度 |
1.365±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
191.05800 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
0 |
同位素质量 |
191.058243149 g/mol |
重原子数量 |
14 |
复杂度 |
256 |
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) |
1 |
拓扑分子极性表面积 |
47.6Ų |
分子量 |
191.18 |
海关数据
海关编码 |
2934999090 |
海关数据 |
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
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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化合物详情(旧版)
物理化学性质
产品用途
应用领域
化学品安全说明书(MSDS)
储运特性
21796-14-5的质谱图