Cas no 354581-17-2 (4-Methyl-1-(4-pyridinyl)-1-pentanone)
354581-17-2 structure
Product Name:4-Methyl-1-(4-pyridinyl)-1-pentanone
CAS No:354581-17-2
MF:C11H15NO
MW:177.242902994156
CID:920351
PubChem ID:11805286
Update Time:2025-04-19
4-Methyl-1-(4-pyridinyl)-1-pentanone Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-1-(4-pyridinyl)-1-pentanone
- 4-methyl-1-pyridin-4-ylpentan-1-one
- 354581-17-2
- 4-Methyl-1-(pyridin-4-yl)pentan-1-one
- AKOS011915325
- DB-263171
- DTXSID10473064
-
- Inchi： 1S/C11H15NO/c1-9(2)3-4-11(13)10-5-7-12-8-6-10/h5-9H,3-4H2,1-2H3
- InChI Key： RDTRVZRTUPCVBM-UHFFFAOYSA-N
- SMILES： O=C(C1C=CN=CC=1)CCC(C)C
Computed Properties
- Exact Mass: 177.11545
- Monoisotopic Mass: 177.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 160
- 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: 1.9
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96
4-Methyl-1-(4-pyridinyl)-1-pentanone Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
354581-17-2 (4-Methyl-1-(4-pyridinyl)-1-pentanone) Related Products
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