Cas no 2658-07-3 (1,3-Benzenedicarboxamide, N,N'-bis(3-aminophenyl)-)
2658-07-3 structure
Product Name:1,3-Benzenedicarboxamide, N,N'-bis(3-aminophenyl)-
CAS No:2658-07-3
MF:C20H18N4O2
MW:346.382524013519
CID:238348
PubChem ID:4015222
Update Time:2025-04-19
1,3-Benzenedicarboxamide, N,N'-bis(3-aminophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxamide, N,N'-bis(3-aminophenyl)-
- SCHEMBL8403932
- DTXSID10398541
- AKOS003244264
- 2658-07-3
-
- Inchi： 1S/C20H18N4O2/c21-15-6-2-8-17(11-15)23-19(25)13-4-1-5-14(10-13)20(26)24-18-9-3-7-16(22)12-18/h1-12H,21-22H2,(H,23,25)(H,24,26)
- InChI Key： PGMULPLYLHOJCN-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C(NC2C=CC=C(C=2)N)=O)C=1)NC1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 346.14314
- Monoisotopic Mass: 346.14297583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 456
- 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: 2.2
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 110.24
1,3-Benzenedicarboxamide, N,N'-bis(3-aminophenyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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