Cas no 62617-40-7 (3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-1-methyl-2-oxo-)
62617-40-7 structure
Product Name:3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-1-methyl-2-oxo-
CAS No:62617-40-7
MF:C9H11N3O
MW:177.203141450882
CID:437952
PubChem ID:14148540
Update Time:2025-04-19
3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-1-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-1-methyl-2-oxo-
- 4-(dimethylamino)-1-methyl-2-oxopyridine-3-carbonitrile
- DTXSID60556619
- 4-(Dimethylamino)-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- 62617-40-7
-
- Inchi： 1S/C9H11N3O/c1-11(2)8-4-5-12(3)9(13)7(8)6-10/h4-5H,1-3H3
- InChI Key： NUAGETVSKYHRCZ-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C(C=CN1C)N(C)C
Computed Properties
- Exact Mass: 177.09033
- Monoisotopic Mass: 177.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 343
- 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: 0.2
- Topological Polar Surface Area: 47.3?2
Experimental Properties
- PSA: 47.34
3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-1-methyl-2-oxo- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
62617-40-7 (3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-1-methyl-2-oxo-) Related Products
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