Cas no 103318-96-3 (4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3,7-dioxo-)
103318-96-3 structure
Product Name:4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3,7-dioxo-
CAS No:103318-96-3
MF:C11H10N2O2
MW:202.209302425385
CID:1136383
Update Time:2024-07-26
4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3,7-dioxo- Chemical and Physical Properties
Names and Identifiers
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- 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3,7-dioxo-
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- Inchi： 1S/C11H10N2O2/c1-6-9-4-7(14)2-3-8(9)10(5-12)11(15)13-6/h2-4H2,1H3,(H,13,15)
- InChI Key： VIZSULJQVSMAMF-UHFFFAOYSA-N
- SMILES： C1(C)=C2C(CCC(=O)C2)=C(C#N)C(=O)N1
Computed Properties
- Exact Mass: 201.06647
Experimental Properties
- Density: 1.30±0.1 g/cm3(Predicted)
- Melting Point: 260 °C
- Boiling Point: 540.4±50.0 °C(Predicted)
- PSA: 70.82
- pka: 9.77±0.60(Predicted)
4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3,7-dioxo- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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