Cas no 61171-60-6 (1-Azabicyclo[2.2.2]octane-3-carboxamide, 6,6,7,7-tetramethyl-)
![1-Azabicyclo[2.2.2]octane-3-carboxamide, 6,6,7,7-tetramethyl- structure](https://ossimg.kuujia.com/scimg/61500/61171-60-6x500.png)
61171-60-6 structure
Product Name:1-Azabicyclo[2.2.2]octane-3-carboxamide, 6,6,7,7-tetramethyl-
CAS No:61171-60-6
MF:C12H22N2O
MW:210.315883159637
CID:489765
PubChem ID:12293530
Update Time:2025-04-19
1-Azabicyclo[2.2.2]octane-3-carboxamide, 6,6,7,7-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Azabicyclo[2.2.2]octane-3-carboxamide, 6,6,7,7-tetramethyl-
- 2,2,6,6-tetramethyl-1-azabicyclo[2.2.2]octane-8-carboxamide
- 2,2,6,6-tetramethylquinuclidine-8-carboxamide
- DTXSID50485202
- 61171-60-6
-
- Inchi： 1S/C12H22N2O/c1-11(2)5-8-6-12(3,4)14(11)7-9(8)10(13)15/h8-9H,5-7H2,1-4H3,(H2,13,15)
- InChI Key： BUTUOBUWYFIGSZ-UHFFFAOYSA-N
- SMILES： O=C(C1CN2C(C)(C)CC1CC2(C)C)N
Computed Properties
- Exact Mass: 210.17336
- Monoisotopic Mass: 210.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 278
- 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: 0.9
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.33
1-Azabicyclo[2.2.2]octane-3-carboxamide, 6,6,7,7-tetramethyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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