Cas no 802037-47-4 (2(1H)-Pyridone,3-(aminomethyl)-5,6-dihydro-4-isobutyl-6,6-dimethyl-(8CI))
802037-47-4 structure
Product Name:2(1H)-Pyridone,3-(aminomethyl)-5,6-dihydro-4-isobutyl-6,6-dimethyl-(8CI)
CAS No:802037-47-4
MF:C12H22N2O
MW:210.315883159637
CID:713153
Update Time:2023-03-29
2(1H)-Pyridone,3-(aminomethyl)-5,6-dihydro-4-isobutyl-6,6-dimethyl-(8CI) Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Pyridinone,3-(aminomethyl)-5,6-dihydro-6,6-dimethyl-4-(2-methylpropyl)-
- 2(1H)-Pyridone,3-(aminomethyl)-5,6-dihydro-4-isobutyl-6,6-dimethyl-(8CI)
-
- Inchi： 1S/C12H22N2O/c1-8(2)5-9-6-12(3,4)14-11(15)10(9)7-13/h8H,5-7,13H2,1-4H3,(H,14,15)
- InChI Key： MEAUIWDCCUNHIT-UHFFFAOYSA-N
- SMILES： C1(C)(C)NC(=O)C(CN)=C(CC(C)C)C1
Computed Properties
- Exact Mass: 210.173
- Monoisotopic Mass: 210.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 290
- 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: 55.1A^2
2(1H)-Pyridone,3-(aminomethyl)-5,6-dihydro-4-isobutyl-6,6-dimethyl-(8CI) Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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