Cas no 62617-44-1 (3-Pyridinecarbonitrile, 4-(butylamino)-1,2-dihydro-1-methyl-2-oxo-)
62617-44-1 structure
Product Name:3-Pyridinecarbonitrile, 4-(butylamino)-1,2-dihydro-1-methyl-2-oxo-
CAS No:62617-44-1
MF:C11H15N3O
MW:205.256302118301
CID:437949
PubChem ID:14148535
Update Time:2025-04-19
3-Pyridinecarbonitrile, 4-(butylamino)-1,2-dihydro-1-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 4-(butylamino)-1,2-dihydro-1-methyl-2-oxo-
- 4-(butylamino)-1-methyl-2-oxopyridine-3-carbonitrile
- DTXSID40556617
- 62617-44-1
- 4-(Butylamino)-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
-
- Inchi： 1S/C11H15N3O/c1-3-4-6-13-10-5-7-14(2)11(15)9(10)8-12/h5,7,13H,3-4,6H2,1-2H3
- InChI Key： PEOPVWXAAOLCGY-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C(C=CN1C)NCCCC
Computed Properties
- Exact Mass: 205.12165
- Monoisotopic Mass: 205.121512110g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 359
- 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: 1.8
- Topological Polar Surface Area: 56.1?2
Experimental Properties
- PSA: 56.13
3-Pyridinecarbonitrile, 4-(butylamino)-1,2-dihydro-1-methyl-2-oxo- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
62617-44-1 (3-Pyridinecarbonitrile, 4-(butylamino)-1,2-dihydro-1-methyl-2-oxo-) Related Products
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