Cas no 54696-57-0 (2-Pyridinamine, N-(2,6-dimethylphenyl)-3-nitro-)
54696-57-0 structure
Product Name:2-Pyridinamine, N-(2,6-dimethylphenyl)-3-nitro-
CAS No:54696-57-0
MF:C13H13N3O2
MW:243.261222600937
CID:353913
PubChem ID:12445345
Update Time:2025-04-19
2-Pyridinamine, N-(2,6-dimethylphenyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinamine, N-(2,6-dimethylphenyl)-3-nitro-
- N-(2,6-dimethylphenyl)-3-nitropyridin-2-amine
- 54696-57-0
- DTXSID80498522
-
- Inchi： 1S/C13H13N3O2/c1-9-5-3-6-10(2)12(9)15-13-11(16(17)18)7-4-8-14-13/h3-8H,1-2H3,(H,14,15)
- InChI Key： XUVPZMNJNBIMQT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CN=C1NC1C(C)=CC=CC=1C)=O
Computed Properties
- Exact Mass: 243.10089
- Monoisotopic Mass: 243.100776666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 283
- 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: 3.8
- Topological Polar Surface Area: 70.7?2
Experimental Properties
- PSA: 68.06
2-Pyridinamine, N-(2,6-dimethylphenyl)-3-nitro- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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