Cas no 61666-96-4 (Benzo[c][1,6]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans-)
![Benzo[c][1,6]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans- structure](https://ossimg.kuujia.com/scimg/62000/61666-96-4x500.png)
61666-96-4 structure
Product Name:Benzo[c][1,6]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans-
CAS No:61666-96-4
MF:C12H16N2
MW:188.268842697144
CID:470828
PubChem ID:71393607
Update Time:2025-04-19
Benzo[c][1,6]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[c][1,6]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans-
- (6aR,10aR)-5,6,6a,7,8,9,10,10a-octahydrobenzo[c][1,6]naphthyridine
- DTXSID30815366
- 61666-96-4
-
- Inchi： 1S/C12H16N2/c1-2-4-10-9(3-1)7-14-12-5-6-13-8-11(10)12/h5-6,8-10,14H,1-4,7H2/t9-,10+/m0/s1
- InChI Key： CRIWXSZYMOHYJE-VHSXEESVSA-N
- SMILES： N1C2C=CN=CC=2[C@@H]2CCCC[C@H]2C1
Computed Properties
- Exact Mass: 188.13148
- Monoisotopic Mass: 188.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 24.9?2
Experimental Properties
- PSA: 24.92
Benzo[c][1,6]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans- Related Literature
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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