Cas no 61546-88-1 (2H-Quinolizinium, octahydro-1-oxo-5-(phenylmethyl)-, bromide)
61546-88-1 structure
Product Name:2H-Quinolizinium, octahydro-1-oxo-5-(phenylmethyl)-, bromide
CAS No:61546-88-1
MF:C16H22BrNO
MW:324.255983829498
CID:475369
PubChem ID:12342729
Update Time:2025-04-19
2H-Quinolizinium, octahydro-1-oxo-5-(phenylmethyl)-, bromide Chemical and Physical Properties
Names and Identifiers
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- 2H-Quinolizinium, octahydro-1-oxo-5-(phenylmethyl)-, bromide
- 5-benzyl-2,3,4,6,7,8,9,9a-octahydroquinolizin-5-ium-1-one,bromide
- 5-Benzyl-1-oxooctahydro-2H-quinolizin-5-ium bromide
- 61546-88-1
- DTXSID70492256
-
- Inchi： 1S/C16H22NO.BrH/c18-16-10-6-12-17(11-5-4-9-15(16)17)13-14-7-2-1-3-8-14;/h1-3,7-8,15H,4-6,9-13H2;1H/q+1;/p-1
- InChI Key： JAHGUSWGOBBPMD-UHFFFAOYSA-M
- SMILES： [Br-].O=C1CCC[N+]2(CC3C=CC=CC=3)CCCCC21
Computed Properties
- Exact Mass: 300.9163
- Monoisotopic Mass: 323.08848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 308
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2H-Quinolizinium, octahydro-1-oxo-5-(phenylmethyl)-, bromide Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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