Cas no 62351-68-2 (1,2-Benzenedicarboxylic acid, 3,5-diamino-)
62351-68-2 structure
Product Name:1,2-Benzenedicarboxylic acid, 3,5-diamino-
CAS No:62351-68-2
MF:C8H8N2O4
MW:196.160121917725
CID:448284
PubChem ID:20346779
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, 3,5-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 3,5-diamino-
- 3,5-diaminophthalic acid
- SCHEMBL11235704
- 3,5-Diaminobenzene-1,2-dicarboxylic acid
- DTXSID20605753
- 62351-68-2
-
- Inchi： 1S/C8H8N2O4/c9-3-1-4(7(11)12)6(8(13)14)5(10)2-3/h1-2H,9-10H2,(H,11,12)(H,13,14)
- InChI Key： YKQTZUGNMJORNF-UHFFFAOYSA-N
- SMILES： OC(C1C(=CC(=CC=1C(=O)O)N)N)=O
Computed Properties
- Exact Mass: 196.04844
- Monoisotopic Mass: 196.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 0.2
- Topological Polar Surface Area: 127?2
Experimental Properties
- PSA: 126.64
1,2-Benzenedicarboxylic acid, 3,5-diamino- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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