Cas no 57734-96-0 (Methanone, 1-azabicyclo[2.2.2]oct-3-ylcyclohexyl-)
![Methanone, 1-azabicyclo[2.2.2]oct-3-ylcyclohexyl- structure](https://ossimg.kuujia.com/scimg/58000/57734-96-0x500.png)
57734-96-0 structure
Product Name:Methanone, 1-azabicyclo[2.2.2]oct-3-ylcyclohexyl-
CAS No:57734-96-0
MF:C14H23NO
MW:221.338524103165
CID:344404
PubChem ID:12298778
Update Time:2025-04-19
Methanone, 1-azabicyclo[2.2.2]oct-3-ylcyclohexyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, 1-azabicyclo[2.2.2]oct-3-ylcyclohexyl-
- 1-azabicyclo[2.2.2]octan-3-yl(cyclohexyl)methanone
- 57734-96-0
- 3-quinuclidyl cyclohexyl ketone
- DTXSID70486074
-
- Inchi： 1S/C14H23NO/c16-14(12-4-2-1-3-5-12)13-10-15-8-6-11(13)7-9-15/h11-13H,1-10H2
- InChI Key： ZCPIJTWFTVKSPH-UHFFFAOYSA-N
- SMILES： O=C(C1CCCCC1)C1CN2CCC1CC2
Computed Properties
- Exact Mass: 221.17809
- Monoisotopic Mass: 221.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 2.6
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
Methanone, 1-azabicyclo[2.2.2]oct-3-ylcyclohexyl- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
57734-96-0 (Methanone, 1-azabicyclo[2.2.2]oct-3-ylcyclohexyl-) Related Products
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