Cas no 62617-52-1 (3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-4-(methylamino)-2-oxo-)
62617-52-1 structure
Product Name:3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-4-(methylamino)-2-oxo-
CAS No:62617-52-1
MF:C9H11N3O
MW:177.203141450882
CID:437941
PubChem ID:14148522
Update Time:2025-04-19
3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-4-(methylamino)-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-4-(methylamino)-2-oxo-
- 1-ethyl-4-(methylamino)-2-oxopyridine-3-carbonitrile
- 1-Ethyl-4-(methylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile
- DTXSID00556613
- 62617-52-1
-
- Inchi: 1S/C9H11N3O/c1-3-12-5-4-8(11-2)7(6-10)9(12)13/h4-5,11H,3H2,1-2H3
- InChI Key: CSNVRFGIPXCVHP-UHFFFAOYSA-N
- SMILES: O=C1C(C#N)=C(C=CN1CC)NC
Computed Properties
- Exact Mass: 177.09033
- Monoisotopic Mass: 177.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 332
- 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: 0.9
- Topological Polar Surface Area: 56.1?2
Experimental Properties
- PSA: 56.13
3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-4-(methylamino)-2-oxo- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
62617-52-1 (3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-4-(methylamino)-2-oxo-) Related Products
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