Cas no 62221-89-0 (Cyclohexanecarboxamide, 1-butyl-2-oxo-)
62221-89-0 structure
Product Name:Cyclohexanecarboxamide, 1-butyl-2-oxo-
CAS No:62221-89-0
MF:C11H19NO2
MW:197.27406334877
CID:453817
PubChem ID:71388648
Update Time:2025-04-19
Cyclohexanecarboxamide, 1-butyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide, 1-butyl-2-oxo-
- 1-butyl-2-oxocyclohexane-1-carboxamide
- 62221-89-0
- DTXSID80810705
-
- Inchi： 1S/C11H19NO2/c1-2-3-7-11(10(12)14)8-5-4-6-9(11)13/h2-8H2,1H3,(H2,12,14)
- InChI Key： WUBRAELEDRZQBK-UHFFFAOYSA-N
- SMILES： O=C1CCCCC1(C(N)=O)CCCC
Computed Properties
- Exact Mass: 197.14167
- Monoisotopic Mass: 197.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 60.2?2
Experimental Properties
- PSA: 60.16
Cyclohexanecarboxamide, 1-butyl-2-oxo- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
62221-89-0 (Cyclohexanecarboxamide, 1-butyl-2-oxo-) Related Products
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