Cas no 139394-20-0 (3-Pyridinecarbonitrile, 5-butyl-1,2-dihydro-6-methyl-2-oxo-)
139394-20-0 structure
Product Name:3-Pyridinecarbonitrile, 5-butyl-1,2-dihydro-6-methyl-2-oxo-
CAS No:139394-20-0
MF:C11H14N2O
MW:190.241662502289
CID:1279416
PubChem ID:10330159
Update Time:2025-04-20
3-Pyridinecarbonitrile, 5-butyl-1,2-dihydro-6-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 5-butyl-1,2-dihydro-6-methyl-2-oxo-
- 5-butyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- CRHRCPOXEGCQLY-UHFFFAOYSA-N
- 139394-20-0
- DA-20986
- SCHEMBL9432027
- 3-cyano-5-butyl-6-methylpyridin-2(1H)-one
-
- Inchi： 1S/C11H14N2O/c1-3-4-5-9-6-10(7-12)11(14)13-8(9)2/h6H,3-5H2,1-2H3,(H,13,14)
- InChI Key： CRHRCPOXEGCQLY-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=CC(=C(C)N1)CCCC
Computed Properties
- Exact Mass: 190.11072
- Monoisotopic Mass: 190.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 355
- 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: 1.3
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- PSA: 52.89
3-Pyridinecarbonitrile, 5-butyl-1,2-dihydro-6-methyl-2-oxo- Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
139394-20-0 (3-Pyridinecarbonitrile, 5-butyl-1,2-dihydro-6-methyl-2-oxo-) Related Products
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