Cas no 54696-60-5 (2-Pyridinamine, N-(4-methylphenyl)-3-nitro-)
54696-60-5 structure
Product Name:2-Pyridinamine, N-(4-methylphenyl)-3-nitro-
CAS No:54696-60-5
MF:C12H11N3O2
MW:229.234642267227
CID:353912
PubChem ID:12445401
Update Time:2025-04-19
2-Pyridinamine, N-(4-methylphenyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinamine, N-(4-methylphenyl)-3-nitro-
- N-(4-methylphenyl)-3-nitro-2-Pyridinamine
- N-(4-methylphenyl)-3-nitropyridin-2-amine
- 3-nitro-N-p-tolylpyridin-2-amine
- AKOS008858647
- 54696-60-5
- DTXSID10498555
- FT-0752432
- SCHEMBL2177712
- HLMXCGYQUGFYJW-UHFFFAOYSA-N
-
- Inchi： 1S/C12H11N3O2/c1-9-4-6-10(7-5-9)14-12-11(15(16)17)3-2-8-13-12/h2-8H,1H3,(H,13,14)
- InChI Key： HLMXCGYQUGFYJW-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CN=C1NC1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 229.08523
- Monoisotopic Mass: 229.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 3.5
- Topological Polar Surface Area: 70.7?2
Experimental Properties
- PSA: 68.06
2-Pyridinamine, N-(4-methylphenyl)-3-nitro- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
54696-60-5 (2-Pyridinamine, N-(4-methylphenyl)-3-nitro-) Related Products
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