Cas no 54813-51-3 (Pyridine,4-(2-phenylethyl)-, 1-oxide)
54813-51-3 structure
Product Name:Pyridine,4-(2-phenylethyl)-, 1-oxide
CAS No:54813-51-3
MF:C13H13NO
MW:199.248423337936
CID:383452
PubChem ID:315602
Update Time:2025-04-19
Pyridine,4-(2-phenylethyl)-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,4-(2-phenylethyl)-, 1-oxide
- 1-oxido-4-(2-phenylethyl)pyridin-1-ium
- 1-oxido-4-phenethylpyridin-1-ium
- 4-(2-Phenylethyl)-pyridin-1-oxid
- 4-Phenaethyl-pyridin-1-oxid
- 4-phenethyl-pyridine-1-oxide
- AC1L7S1D
- NSC241091
- DTXSID10311295
- NSC-241091
- 54813-51-3
-
- Inchi： 1S/C13H13NO/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
- InChI Key： KCRKAFHOYSSLFT-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC(=CC=1)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 199.09979
- Monoisotopic Mass: 199.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 25.5?2
Experimental Properties
- PSA: 26.94
Pyridine,4-(2-phenylethyl)-, 1-oxide Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
54813-51-3 (Pyridine,4-(2-phenylethyl)-, 1-oxide) Related Products
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