Cas no 61120-12-5 (Ethanedione, [4-(methylamino)phenyl]phenyl-)
61120-12-5 structure
Product Name:Ethanedione, [4-(methylamino)phenyl]phenyl-
CAS No:61120-12-5
MF:C15H13NO2
MW:239.269223928452
CID:491481
PubChem ID:71399243
Update Time:2025-04-19
Ethanedione, [4-(methylamino)phenyl]phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanedione, [4-(methylamino)phenyl]phenyl-
- 1-[4-(methylamino)phenyl]-2-phenylethane-1,2-dione
- DTXSID70820616
- 61120-12-5
-
- Inchi: 1S/C15H13NO2/c1-16-13-9-7-12(8-10-13)15(18)14(17)11-5-3-2-4-6-11/h2-10,16H,1H3
- InChI Key: PNUCRNDEEGWNHS-UHFFFAOYSA-N
- SMILES: O=C(C(C1C=CC=CC=1)=O)C1C=CC(=CC=1)NC
Computed Properties
- Exact Mass: 239.09469
- Monoisotopic Mass: 239.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 300
- 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
- XLogP3: 3.4
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
Ethanedione, [4-(methylamino)phenyl]phenyl- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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