Cas no 389622-01-9 (2,6-Pyridinedicarboxylic acid, compd. with 2,6-pyridinediamine (1:1))
389622-01-9 structure
Product Name:2,6-Pyridinedicarboxylic acid, compd. with 2,6-pyridinediamine (1:1)
CAS No:389622-01-9
MF:C12H12N4O4
MW:276.24808216095
CID:1496603
PubChem ID:71360459
Update Time:2025-04-21
2,6-Pyridinedicarboxylic acid, compd. with 2,6-pyridinediamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Pyridinedicarboxylic acid, compd. with 2,6-pyridinediamine (1:1)
- pyridine-2,6-diamine,pyridine-2,6-dicarboxylic acid
- DTXSID80784250
- 389622-01-9
- Pyridine-2,6-dicarboxylic acid--pyridine-2,6-diamine (1/1)
-
- Inchi： 1S/C7H5NO4.C5H7N3/c9-6(10)4-2-1-3-5(8-4)7(11)12;6-4-2-1-3-5(7)8-4/h1-3H,(H,9,10)(H,11,12);1-3H,(H4,6,7,8)
- InChI Key： LXROMZCRSSLDNI-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=C(C(=O)O)N=1)=O.N1C(=CC=CC=1N)N
Computed Properties
- Exact Mass: 276.08596
- Monoisotopic Mass: 276.08585488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 250
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 152?2
Experimental Properties
- PSA: 152.42
2,6-Pyridinedicarboxylic acid, compd. with 2,6-pyridinediamine (1:1) Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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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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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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