Cas no 84596-25-8 (3-Pyridinecarbonitrile, 2-amino-4,6-dimethyl-5-phenyl-)
84596-25-8 structure
Product Name:3-Pyridinecarbonitrile, 2-amino-4,6-dimethyl-5-phenyl-
CAS No:84596-25-8
MF:C14H13N3
MW:223.273122549057
CID:666823
PubChem ID:20402538
Update Time:2025-04-19
3-Pyridinecarbonitrile, 2-amino-4,6-dimethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 2-amino-4,6-dimethyl-5-phenyl-
- 2-amino-4,6-dimethyl-5-phenylpyridine-3-carbonitrile
- 84596-25-8
- DTXSID10606810
- ZGIQIAIBHXXVCI-UHFFFAOYSA-N
- SCHEMBL11037564
- 2-AMINO-4,6-DIMETHYL-5-PHENYL-3-PYRIDINECARBONITRILE
-
- Inchi： 1S/C14H13N3/c1-9-12(8-15)14(16)17-10(2)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3,(H2,16,17)
- InChI Key： ZGIQIAIBHXXVCI-UHFFFAOYSA-N
- SMILES： N1C(=C(C#N)C(C)=C(C=1C)C1C=CC=CC=1)N
Computed Properties
- Exact Mass: 223.110947427g/mol
- Monoisotopic Mass: 223.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 300
- 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: 62.7?2
3-Pyridinecarbonitrile, 2-amino-4,6-dimethyl-5-phenyl- Related Literature
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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