Cas no 62221-92-5 (Cyclohexanecarboxamide, 1-heptyl-2-oxo-)
62221-92-5 structure
Product Name:Cyclohexanecarboxamide, 1-heptyl-2-oxo-
CAS No:62221-92-5
MF:C14H25NO2
MW:239.353804349899
CID:453814
PubChem ID:71388645
Update Time:2025-04-19
Cyclohexanecarboxamide, 1-heptyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide, 1-heptyl-2-oxo-
- 1-heptyl-2-oxocyclohexane-1-carboxamide
- 62221-92-5
- DTXSID00810702
-
- Inchi： 1S/C14H25NO2/c1-2-3-4-5-7-10-14(13(15)17)11-8-6-9-12(14)16/h2-11H2,1H3,(H2,15,17)
- InChI Key： BQNWFFJBALAFTF-UHFFFAOYSA-N
- SMILES： O=C1CCCCC1(C(N)=O)CCCCCCC
Computed Properties
- Exact Mass: 239.18865
- Monoisotopic Mass: 239.188529040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 275
- 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: 4.1
- Topological Polar Surface Area: 60.2?2
Experimental Properties
- PSA: 60.16
Cyclohexanecarboxamide, 1-heptyl-2-oxo- Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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