Cas no 62617-43-0 (3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(propylamino)-)
62617-43-0 structure
Product Name:3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(propylamino)-
CAS No:62617-43-0
MF:C10H13N3O
MW:191.229721784592
CID:437950
PubChem ID:14148534
Update Time:2025-04-19
3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(propylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(propylamino)-
- 1-methyl-2-oxo-4-(propylamino)pyridine-3-carbonitrile
- 62617-43-0
- DTXSID80556616
- 1-Methyl-2-oxo-4-(propylamino)-1,2-dihydropyridine-3-carbonitrile
-
- Inchi： 1S/C10H13N3O/c1-3-5-12-9-4-6-13(2)10(14)8(9)7-11/h4,6,12H,3,5H2,1-2H3
- InChI Key： UMUCUCIGFIDCSG-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C(C=CN1C)NCCC
Computed Properties
- Exact Mass: 191.10599
- Monoisotopic Mass: 191.105862047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 346
- 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: 1.5
- Topological Polar Surface Area: 56.1?2
Experimental Properties
- PSA: 56.13
3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(propylamino)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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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
62617-43-0 (3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-4-(propylamino)-) Related Products
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