Cas no 104338-84-3 (2(1H)-Pyridinone, 5-butyl-6-methyl-)
104338-84-3 structure
Product Name:2(1H)-Pyridinone, 5-butyl-6-methyl-
CAS No:104338-84-3
MF:C10H15NO
MW:165.232202768326
CID:1147862
PubChem ID:10464679
Update Time:2025-04-20
2(1H)-Pyridinone, 5-butyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone, 5-butyl-6-methyl-
- 5-butyl-6-methyl-1H-pyridin-2-one
- 5-butyl-6-methyl-2(1H)-Pyridinone
- 5-butyl-6-methylpyridin-2(1H)-one
- DB-317569
- SCHEMBL9432274
- UUASPYSJUKVINZ-UHFFFAOYSA-N
- 104338-84-3
- DTXSID00440285
-
- Inchi： 1S/C10H15NO/c1-3-4-5-9-6-7-10(12)11-8(9)2/h6-7H,3-5H2,1-2H3,(H,11,12)
- InChI Key： UUASPYSJUKVINZ-UHFFFAOYSA-N
- SMILES： O=C1C=CC(=C(C)N1)CCCC
Computed Properties
- Exact Mass: 165.115364102g/mol
- Monoisotopic Mass: 165.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 238
- 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
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 33.12000
- LogP: 2.43820
2(1H)-Pyridinone, 5-butyl-6-methyl- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
104338-84-3 (2(1H)-Pyridinone, 5-butyl-6-methyl-) Related Products
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