Cas no 31029-96-6 (Ethanedione, (4-aminophenyl)phenyl-)
31029-96-6 structure
Product Name:Ethanedione, (4-aminophenyl)phenyl-
CAS No:31029-96-6
MF:C14H11NO2
MW:225.242643594742
CID:293038
PubChem ID:577464
Update Time:2025-04-19
Ethanedione, (4-aminophenyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanedione, (4-aminophenyl)phenyl-
- 1-(4-aminophenyl)-2-phenylethane-1,2-dione
- 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
- SR-01000200127-1
- CBDivE_012517
- 1-(4-Aminophenyl)-2-phenyl-1,2-ethanedione
- AKOS022655414
- AB00076193-01
- Ethane-1,2-dione, 1-(4-aminophenyl)-2-phenyl-
- DTXSID70341972
- MLS001178893
- HMS2812J06
- JHBUKUKCTQDSAN-UHFFFAOYSA-N
- CHEMBL1893163
- SCHEMBL7887870
- 1-(4-aminophenyl)-2-phenyl-ethane-1,2-dione
- SMR000476302
- 1-(4-Aminophenyl)-2-phenyl-1,2-ethanedione #
- SR-01000200127
- AG-690/33041046
- 31029-96-6
- 4-amino-benzil
-
- Inchi： 1S/C14H11NO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H,15H2
- InChI Key： JHBUKUKCTQDSAN-UHFFFAOYSA-N
- SMILES： O=C(C(C1C=CC=CC=1)=O)C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 225.07903
- Monoisotopic Mass: 225.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 287
- 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: 2.7
- Topological Polar Surface Area: 60.2?2
Experimental Properties
- PSA: 60.16
Ethanedione, (4-aminophenyl)phenyl- Related Literature
-
Xiaochen Ji,Dongdong Li,Xuan Zhou,Huawen Huang,Guo-Jun Deng Green Chem. 2017 19 619
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