Cas no 101640-59-9 (3-(1-propen-1-yl)-Isoquinoline)
101640-59-9 structure
Product Name:3-(1-propen-1-yl)-Isoquinoline
CAS No:101640-59-9
MF:C12H11N
MW:169.222442865372
CID:1096393
Update Time:2024-07-27
3-(1-propen-1-yl)-Isoquinoline Chemical and Physical Properties
Names and Identifiers
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- 3-(1-propen-1-yl)-Isoquinoline
- Isoquinoline, 3-(1-propen-1-yl)-
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- Inchi： 1S/C12H11N/c1-2-5-12-8-10-6-3-4-7-11(10)9-13-12/h2-9H,1H3
- InChI Key： ISBPFGZOAWZECU-UHFFFAOYSA-N
- SMILES： C1C2=C(C=CC=C2)C=C(C=CC)N=1
Computed Properties
- Exact Mass: 169.089149g/mol
- Monoisotopic Mass: 169.089149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 169.22g/mol
- XLogP3: 3.3
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- Density: 1.072±0.06 g/cm3(Predicted)
- Melting Point: 70-71.5 °C
- Boiling Point: 305.8±11.0 °C(Predicted)
- pka: 5.01±0.30(Predicted)
3-(1-propen-1-yl)-Isoquinoline Related Literature
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2. 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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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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