Cas no 116775-53-2 (8-methyl-1-Isoquinolinecarbonitrile)
116775-53-2 structure
Product Name:8-methyl-1-Isoquinolinecarbonitrile
CAS No:116775-53-2
MF:C11H8N2
MW:168.194622039795
CID:1100301
PubChem ID:14027544
Update Time:2025-04-20
8-methyl-1-Isoquinolinecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 8-methyl-1-Isoquinolinecarbonitrile
- 8-methylisoquinoline-1-carbonitrile
- 116775-53-2
- 1-Isoquinolinecarbonitrile, 8-methyl-
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- Inchi： 1S/C11H8N2/c1-8-3-2-4-9-5-6-13-10(7-12)11(8)9/h2-6H,1H3
- InChI Key： QFYCSRQQWHZOJH-UHFFFAOYSA-N
- SMILES： N1C=CC2C=CC=C(C)C=2C=1C#N
Computed Properties
- Exact Mass: 168.068748264g/mol
- Monoisotopic Mass: 168.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 228
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 36.7?2
8-methyl-1-Isoquinolinecarbonitrile Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
116775-53-2 (8-methyl-1-Isoquinolinecarbonitrile) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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