Cas no 45980-26-5 (1-Azabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-)
45980-26-5 structure
Product Name:1-Azabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-
CAS No:45980-26-5
MF:C11H21N
MW:167.29114317894
CID:2692982
PubChem ID:142668
Update Time:2025-04-21
1-Azabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Azabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-
- SCHEMBL2690097
- DTXSID00196674
- 1-Azabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-
- 45980-26-5
-
- Inchi： 1S/C11H21N/c1-10(2,3)11-4-7-12(8-5-11)9-6-11/h4-9H2,1-3H3
- InChI Key： XRKRFBOJYJUTLW-UHFFFAOYSA-N
- SMILES： N12CCC(CC1)(CC2)C(C)(C)C
Computed Properties
- Exact Mass: 167.167
- Monoisotopic Mass: 167.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 156
- 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: 2.7
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- Density: 0.92
- Boiling Point: 198.9°C at 760 mmHg
- Flash Point: 66.5°C
- Refractive Index: 1.497
1-Azabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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