Cas no 406923-63-5 (Isoquinoline,5-fluoro-1,2,3,4-tetrahydro-2-methyl-)
406923-63-5 structure
Product Name:Isoquinoline,5-fluoro-1,2,3,4-tetrahydro-2-methyl-
CAS No:406923-63-5
MF:C10H12FN
MW:165.207386016846
CID:326130
PubChem ID:45090361
Update Time:2025-04-19
Isoquinoline,5-fluoro-1,2,3,4-tetrahydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline,5-fluoro-1,2,3,4-tetrahydro-2-methyl-
- Isoquinoline, 5-fluoro-1,2,3,4-tetrahydro-2-methyl- (9CI)
- 406923-63-5
- 5-Fluoro-2-methyl-1,2,3,4-tetrahydroisoquinoline
- SCHEMBL12363758
- AKOS027406775
-
- Inchi： 1S/C10H12FN/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-4H,5-7H2,1H3
- InChI Key： DVEOSCCQOZDXRJ-UHFFFAOYSA-N
- SMILES： FC1=CC=CC2=C1CCN(C)C2
Computed Properties
- Exact Mass: 165.095377549g/mol
- Monoisotopic Mass: 165.095377549g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- 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: 1.9
- Topological Polar Surface Area: 3.2?2
Isoquinoline,5-fluoro-1,2,3,4-tetrahydro-2-methyl- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jason Wan Lab Chip, 2020,20, 4528-4538
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