Cas no 166973-19-9 (1-(2-Amino-5-methoxyphenyl)-2-methylpropan-1-one)
166973-19-9 structure
Product Name:1-(2-Amino-5-methoxyphenyl)-2-methylpropan-1-one
CAS No:166973-19-9
MF:C11H15NO2
MW:193.242303133011
CID:2781265
Update Time:2023-08-07
1-(2-Amino-5-methoxyphenyl)-2-methylpropan-1-one Chemical and Physical Properties
Names and Identifiers
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- 1-(2-Amino-5-methoxyphenyl)-2-methylpropan-1-one
- 1-(2-amino-5-methoxyphenyl)-2-methyl-1-propanone
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- Inchi： 1S/C11H15NO2/c1-7(2)11(13)9-6-8(14-3)4-5-10(9)12/h4-7H,12H2,1-3H3
- InChI Key： FTFRELRYHTZXSB-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C=CC=1N)OC)C(C)C
Computed Properties
- Exact Mass: 193.110278721 g/mol
- Monoisotopic Mass: 193.110278721 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 204
- 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
- Molecular Weight: 193.24
- XLogP3: 2.8
- Topological Polar Surface Area: 52.3
1-(2-Amino-5-methoxyphenyl)-2-methylpropan-1-one Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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