Cas no 811467-87-5 (Benz[f]isoquinoline,3-ethyl-1,2,3,4,5,6-hexahydro-)
811467-87-5 structure
Product Name:Benz[f]isoquinoline,3-ethyl-1,2,3,4,5,6-hexahydro-
CAS No:811467-87-5
MF:C15H19N
MW:213.31806397438
CID:715295
Update Time:2024-02-04
Benz[f]isoquinoline,3-ethyl-1,2,3,4,5,6-hexahydro- Chemical and Physical Properties
Names and Identifiers
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- Benz[f]isoquinoline,3-ethyl-1,2,3,4,5,6-hexahydro-
- Benz[f]isoquinoline, 3-ethyl-1,2,3,4,5,6-hexahydro- (9CI)
- Benz[f]isoquinoline, 3-ethyl-1,2,3,4,5,6-hexahydro-
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- Inchi: 1S/C15H19N/c1-2-16-10-9-15-13(11-16)8-7-12-5-3-4-6-14(12)15/h3-6H,2,7-11H2,1H3
- InChI Key: BACAWWGUGDPTSS-UHFFFAOYSA-N
- SMILES: C1C2=C(C3=CC=CC=C3CC2)CCN1CC
Computed Properties
- Exact Mass: 213.152
- Monoisotopic Mass: 213.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 292
- 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
- Topological Polar Surface Area: 3.2A^2
Benz[f]isoquinoline,3-ethyl-1,2,3,4,5,6-hexahydro- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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