Cas no 217458-79-2 (Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide)
217458-79-2 structure
Product Name:Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide
CAS No:217458-79-2
MF:C13H18BrNO
MW:284.192122936249
CID:1409052
PubChem ID:10802960
Update Time:2025-04-20
Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide Chemical and Physical Properties
Names and Identifiers
-
- Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide
- 1-benzyl-1-methylpiperidin-1-ium-4-one,bromide
- 217458-79-2
- AKOS024342137
- DTXSID90445168
- NSC-100984
- 1-Benzyl-1-methyl-4-oxo-piperidinium bromide
- NSC100984
- SCHEMBL1140066
- VGBYLNRPCPKABJ-UHFFFAOYSA-M
- Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide (1:1)
-
- Inchi： 1S/C13H18NO.BrH/c1-14(9-7-13(15)8-10-14)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H/q+1;/p-1
- InChI Key： VGBYLNRPCPKABJ-UHFFFAOYSA-M
- SMILES： [Br-].O=C1CC[N+](C)(CC2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 264.9163
- Monoisotopic Mass: 283.05718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 221
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
217458-79-2 (Piperidinium, 1-methyl-4-oxo-1-(phenylmethyl)-, bromide) Related Products
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