Cas no 5452-66-4 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2-cycloheptylideneacetamide
- AC1L5FGR
- AC1Q5BKP
- AG-K-93868
- AR-1E0921
- CTK5A1448
- NSC18968
- NSC-18968
- 4522AS5ZL4
- .DELTA.1,.alpha.-Cycloheptaneacetamide
- 5452-66-4
- Acetamide, 2-cycloheptylidene-
- UNII-4522AS5ZL4
- DTXSID50280875
- NSC 18968
-
-
- Inchi： 1S/C9H15NO/c10-9(11)7-8-5-3-1-2-4-6-8/h7H,1-6H2,(H2,10,11)
- InChI Key： PLXSLZSIRPBWNK-UHFFFAOYSA-N
- SMILES： O=C(/C=C1/CCCCCC/1)N
Computed Properties
- Exact Mass: 153.11545
- Monoisotopic Mass: 153.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 162
- 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: 1.7
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 1.077
- Boiling Point: 326.7°C at 760 mmHg
- Flash Point: 151.4°C
- Refractive Index: 1.571
- PSA: 43.09
- LogP: 2.45260
Related Literature
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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