Cas no 780800-72-8 (Pyridine,2-methyl-3-(1-methylethyl)-, 1-oxide)
780800-72-8 structure
Product Name:Pyridine,2-methyl-3-(1-methylethyl)-, 1-oxide
CAS No:780800-72-8
MF:C9H13NO
MW:151.205622434616
CID:553772
PubChem ID:23530578
Update Time:2025-04-19
Pyridine,2-methyl-3-(1-methylethyl)-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,2-methyl-3-(1-methylethyl)-, 1-oxide
- Pyridine, 2-methyl-3-(1-methylethyl)-, 1-oxide (9CI)
- 3-Isopropyl-2-methylpyridine 1-oxide
- 3-isopropyl-2-methyl-1-oxidopyridin-1-ium
- SCHEMBL2084959
- 3-isopropyl-2-methyl-pyridine 1-oxide
- HFYXLYIBOCMSFZ-UHFFFAOYSA-N
- 3-Isopropyl-2-methylpyridine1-oxide
- 780800-72-8
-
- Inchi： 1S/C9H13NO/c1-7(2)9-5-4-6-10(11)8(9)3/h4-7H,1-3H3
- InChI Key： HFYXLYIBOCMSFZ-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC=C(C=1C)C(C)C
Computed Properties
- Exact Mass: 151.1
- Monoisotopic Mass: 151.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 125
- 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: 25.5A^2
- XLogP3: 1.4
Pyridine,2-methyl-3-(1-methylethyl)-, 1-oxide Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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