Cas no 742106-57-6 (1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-ethyldecahydro-, (1S,5S)-)
![1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-ethyldecahydro-, (1S,5S)- structure](https://ossimg.kuujia.com/scimg/742500/742106-57-6x500.png)
742106-57-6 structure
Product Name:1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-ethyldecahydro-, (1S,5S)-
CAS No:742106-57-6
MF:C13H22N2O
MW:222.326583385468
CID:560399
PubChem ID:45095454
Update Time:2025-04-19
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-ethyldecahydro-, (1S,5S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-ethyldecahydro-, (1S,5S)-
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-ethyldecahydro-,(1S,5S)-(9CI)
- 742106-57-6
-
- Inchi： 1S/C13H22N2O/c1-2-14-7-10-6-11(9-14)12-4-3-5-13(16)15(12)8-10/h10-12H,2-9H2,1H3/t10-,11-,12?/m0/s1
- InChI Key： LRDWBDXBFHPTGD-NDQFZYFBSA-N
- SMILES： O=C1CCCC2[C@@H]3CN(CC)C[C@@H](CN21)C3
Computed Properties
- Exact Mass: 222.173
- Monoisotopic Mass: 222.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.6A^2
- XLogP3: 1
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-ethyldecahydro-, (1S,5S)- Related Literature
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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