Cas no 111964-49-9 (1,6,7,8,9,9a-hexahydro-4H-Quinolizin-4-one)
111964-49-9 structure
Product Name:1,6,7,8,9,9a-hexahydro-4H-Quinolizin-4-one
CAS No:111964-49-9
MF:C9H13NO
MW:151.205622434616
CID:1099163
PubChem ID:11457783
Update Time:2025-04-20
1,6,7,8,9,9a-hexahydro-4H-Quinolizin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 1,6,7,8,9,9a-hexahydro-4H-Quinolizin-4-one
- 1,6,7,8,9,9a-hexahydroquinolizin-4-one
- 4H-Quinolizin-4-one, 1,6,7,8,9,9a-hexahydro-
- 111964-49-9
- DTXSID70466437
-
- Inchi： 1S/C9H13NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h3,6,8H,1-2,4-5,7H2
- InChI Key： NYSKOVUSWSJZOY-UHFFFAOYSA-N
- SMILES： O=C1C=CCC2CCCCN21
Computed Properties
- Exact Mass: 151.09979
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
1,6,7,8,9,9a-hexahydro-4H-Quinolizin-4-one Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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