Cas no 61667-00-3 (Benzo[c][1,7]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans-)
![Benzo[c][1,7]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans- structure](https://ossimg.kuujia.com/scimg/62000/61667-00-3x500.png)
61667-00-3 structure
Product Name:Benzo[c][1,7]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans-
CAS No:61667-00-3
MF:C12H16N2
MW:188.268842697144
CID:470826
PubChem ID:71393605
Update Time:2025-04-19
Benzo[c][1,7]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[c][1,7]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans-
- (6aR,10aR)-5,6,6a,7,8,9,10,10a-octahydrobenzo[c][1,7]naphthyridine
- 61667-00-3
- DTXSID10815364
-
- Inchi： 1S/C12H16N2/c1-2-4-10-9(3-1)7-14-12-8-13-6-5-11(10)12/h5-6,8-10,14H,1-4,7H2/t9-,10+/m0/s1
- InChI Key： VOEAQJNTGGKIBW-VHSXEESVSA-N
- SMILES： N1C2C=NC=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][1,7]naphthyridine, 5,6,6a,7,8,9,10,10a-octahydro-, trans- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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