Cas no 90322-85-3 (Propanedinitrile, (4-aminophenyl)-)
90322-85-3 structure
Product Name:Propanedinitrile, (4-aminophenyl)-
CAS No:90322-85-3
MF:C9H7N3
MW:157.171981096268
CID:789365
PubChem ID:57484074
Update Time:2025-04-19
Propanedinitrile, (4-aminophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, (4-aminophenyl)-
- 2-(4-aminophenyl)propanedinitrile
- (4-Aminophenyl)propanedinitrile
- DTXSID50726869
- 90322-85-3
-
- Inchi： 1S/C9H7N3/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4,8H,12H2
- InChI Key： BDUFKRHXTVZQFY-UHFFFAOYSA-N
- SMILES： NC1C=CC(=CC=1)C(C#N)C#N
Computed Properties
- Exact Mass: 157.063997236g/mol
- Monoisotopic Mass: 157.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 0.9
- Topological Polar Surface Area: 73.6?2
Propanedinitrile, (4-aminophenyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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