Cas no 51458-66-3 (Methanone,(3-aminophenyl)(4-aminophenyl)-)
51458-66-3 structure
Product Name:Methanone,(3-aminophenyl)(4-aminophenyl)-
CAS No:51458-66-3
MF:C13H12N2O
MW:212.247182846069
CID:376186
PubChem ID:148536
Update Time:2025-04-19
Methanone,(3-aminophenyl)(4-aminophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,(3-aminophenyl)(4-aminophenyl)-
- (3-aminophenyl)-(4-aminophenyl)methanone
- (3-Aminophenyl)(4-aminophenyl)methanone
- YKNMIGJJXKBHJE-UHFFFAOYSA-N
- SCHEMBL127545
- CHEMBL167913
- 51458-66-3
- Methanone, (3-aminophenyl)(4-aminophenyl)-
- DTXSID70199435
- 3,4'-diamino benzophenone
- 3,4'-diaminobenzophenone
-
- Inchi： 1S/C13H12N2O/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8H,14-15H2
- InChI Key： YKNMIGJJXKBHJE-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)N)C1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 212.09506
- Monoisotopic Mass: 212.094963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 246
- 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
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: 1.9
- Topological Polar Surface Area: 69.1
Experimental Properties
- Density: 1.233
- Boiling Point: 461.8°Cat760mmHg
- Flash Point: 233.1°C
- Refractive Index: 1.673
- PSA: 69.11
Methanone,(3-aminophenyl)(4-aminophenyl)- Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
51458-66-3 (Methanone,(3-aminophenyl)(4-aminophenyl)-) Related Products
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