Cas no 96817-70-8 (Benzamide, 4-bromo-N-(2-(methylamino)cyclohexyl)-, trans-)
96817-70-8 structure
Product Name:Benzamide, 4-bromo-N-(2-(methylamino)cyclohexyl)-, trans-
CAS No:96817-70-8
MF:C14H19BrN2O
MW:311.217462778091
CID:810547
Update Time:2023-08-03
Benzamide, 4-bromo-N-(2-(methylamino)cyclohexyl)-, trans- Chemical and Physical Properties
Names and Identifiers
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- Benzamide,4-bromo-N-[2-(methylamino)cyclohexyl]-, trans- (9CI)
- N-demethylbromadoline
- 4-bromo-N-[2-(methylamino)cyclohexyl]benzamide
- Benzamide, 4-bromo-N-(2-(methylamino)cyclohexyl)-, trans-
-
- Inchi： 1S/C14H19BrN2O/c1-16-12-4-2-3-5-13(12)17-14(18)10-6-8-11(15)9-7-10/h6-9,12-13,16H,2-5H2,1H3,(H,17,18)/t12-,13-/m1/s1
- InChI Key： TZDKHLXPROFMEH-CHWSQXEVSA-N
- SMILES： BrC1C=CC(=CC=1)C(N[C@@H]1CCCC[C@H]1NC)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 277
- Topological Polar Surface Area: 41.1
Benzamide, 4-bromo-N-(2-(methylamino)cyclohexyl)-, trans- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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