Cas no 1222-47-5 (2,4-diphenylpentanedinitrile)
2,4-diphenylpentanedinitrile structure
Product Name:2,4-diphenylpentanedinitrile
CAS No:1222-47-5
MF:C17H14N2
MW:246.306463718414
CID:2617912
PubChem ID:11218829
Update Time:2025-04-21
2,4-diphenylpentanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,4-diphenylpentanedinitrile
- 2,4-diphenyl-pentanedinitrile
- 1222-47-5
- SCHEMBL1344877
- Pentanedinitrile, 2,4-diphenyl-
- DTXSID70459142
-
- Inchi： 1S/C17H14N2/c18-12-16(14-7-3-1-4-8-14)11-17(13-19)15-9-5-2-6-10-15/h1-10,16-17H,11H2
- InChI Key： BWTDTZJEXARMAO-UHFFFAOYSA-N
- SMILES： N#CC(C1C=CC=CC=1)CC(C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 246.115698455Da
- Monoisotopic Mass: 246.115698455Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 321
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 47.6?2
2,4-diphenylpentanedinitrile Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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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
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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