Cas no 1260762-87-5 (1-(4-Amino-5-methoxy-2-methyl-phenyl)-ethanone)
1260762-87-5 structure
Product Name:1-(4-Amino-5-methoxy-2-methyl-phenyl)-ethanone
CAS No:1260762-87-5
MF:C10H13NO2
MW:179.215722799301
CID:2101262
Update Time:2023-08-03
1-(4-Amino-5-methoxy-2-methyl-phenyl)-ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(4-Amino-5-methoxy-2-methyl-phenyl)-ethanone
- 1-(4-amino-5-methoxy-2-methylphenyl)ethanone
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- Inchi： 1S/C10H13NO2/c1-6-4-9(11)10(13-3)5-8(6)7(2)12/h4-5H,11H2,1-3H3
- InChI Key： QRONBWWVCLCIGJ-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C(C)=O)=C(C)C=C1N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- Topological Polar Surface Area: 52.3
1-(4-Amino-5-methoxy-2-methyl-phenyl)-ethanone Related Literature
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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