Cas no 62490-29-3 (1,2-Benzenediamine, N,N-dimethyl-N'-(3-nitro-2-pyridinyl)-)
62490-29-3 structure
Product Name:1,2-Benzenediamine, N,N-dimethyl-N'-(3-nitro-2-pyridinyl)-
CAS No:62490-29-3
MF:C13H14N4O2
MW:258.275862216949
CID:443008
PubChem ID:12445347
Update Time:2025-04-19
1,2-Benzenediamine, N,N-dimethyl-N'-(3-nitro-2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenediamine, N,N-dimethyl-N'-(3-nitro-2-pyridinyl)-
- 2-N,2-N-dimethyl-1-N-(3-nitropyridin-2-yl)benzene-1,2-diamine
- 62490-29-3
- DTXSID00498524
- N~1~,N~1~-Dimethyl-N~2~-(3-nitropyridin-2-yl)benzene-1,2-diamine
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- Inchi： 1S/C13H14N4O2/c1-16(2)11-7-4-3-6-10(11)15-13-12(17(18)19)8-5-9-14-13/h3-9H,1-2H3,(H,14,15)
- InChI Key： XKDRZMLOXMFVFQ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CN=C1NC1C=CC=CC=1N(C)C)=O
Computed Properties
- Exact Mass: 258.11182
- Monoisotopic Mass: 258.11167570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 306
- 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: 3.2
- Topological Polar Surface Area: 74?2
Experimental Properties
- PSA: 71.3
1,2-Benzenediamine, N,N-dimethyl-N'-(3-nitro-2-pyridinyl)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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