Cas no 6967-70-0 (2(1H)-Pyridinone,3-butyl-4-hydroxy-6-methyl-)
6967-70-0 structure
Product Name:2(1H)-Pyridinone,3-butyl-4-hydroxy-6-methyl-
CAS No:6967-70-0
MF:C10H15NO2
MW:181.231602907181
CID:523338
PubChem ID:54683140
Update Time:2025-04-19
2(1H)-Pyridinone,3-butyl-4-hydroxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone,3-butyl-4-hydroxy-6-methyl-
- 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one
- 2, 3-butyl-6-methyl-
- 3-Butyl-2,4-dihydroxy-6-methylpyridin
- 3-n-Butyl-2,4-dihydroxy-6-methyl-pyridin
- 4,6-Dihydroxy-2-methyl-5-n-butyl-pyridin
- AC1L2MAA
- HMS2884H15
- NCIOpen2_000302
- NSC67602
- 2(1H)-Pyridinone, 3-butyl-4-hydroxy-6-methyl-
- 2 (1H)-Pyridinone, 3-butyl-4-hydroxy-6-methyl-
- MLS000736751
- NCGC00246862-01
- NSC 67602
- 3-BUTYL-6-METHYL-2,4-PYRIDINEDIOL
- 6967-70-0
- NSC-67602
- SMR000528311
- CHEMBL1549129
- DTXSID70219965
-
- Inchi： 1S/C10H15NO2/c1-3-4-5-8-9(12)6-7(2)11-10(8)13/h6H,3-5H2,1-2H3,(H2,11,12,13)
- InChI Key： YESBFODHRKRYPI-UHFFFAOYSA-N
- SMILES： OC1C=C(C)NC(C=1CCCC)=O
Computed Properties
- Exact Mass: 181.11035
- Monoisotopic Mass: 181.110279
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 277
- 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
- Topological Polar Surface Area: 49.3
- XLogP3: 1.8
Experimental Properties
- Density: 1.084
- Boiling Point: 300.9°C at 760 mmHg
- Flash Point: 135.8°C
- Refractive Index: 1.517
- PSA: 49.33
2(1H)-Pyridinone,3-butyl-4-hydroxy-6-methyl- Related Literature
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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
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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