Cas no 13314-63-1 (Pyridine,1-ethyl-1,2,3,6-tetrahydro-4-phenyl-)
13314-63-1 structure
Product Name:Pyridine,1-ethyl-1,2,3,6-tetrahydro-4-phenyl-
Pyridine,1-ethyl-1,2,3,6-tetrahydro-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-ethyl-4-phenyl-1,2,3,6-tetrahydropyridine
- 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine
- Pyridine,1-ethyl-1,2,3,6-tetrahydro-4-phenyl-
- EPTP
- ethyl-4-phenyl-1,2,3,6-tetrahydropyridine
- 13314-63-1
- DTXSID50157977
- Pyridine, 1-ethyl-1,2,3,6-tetrahydro-4-phenyl-
- CHEMBL101362
- SCHEMBL10241131
-
- Inchi： 1S/C13H17N/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-8H,2,9-11H2,1H3
- InChI Key： YQYRYHNCVCFNHU-UHFFFAOYSA-N
- SMILES： N1(CC)CC=C(C2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 187.13621
- Monoisotopic Mass: 187.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 3.2
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
Pyridine,1-ethyl-1,2,3,6-tetrahydro-4-phenyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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