1-Azabicyclo[2.2.2]octane, 4-methyl-
- Formula: C8H15N
- Molecular weight: 125.2114
- IUPAC Standard InChI: InChI=1S/C8H15N/c1-8-2-5-9(6-3-8)7-4-8/h2-7H2,1H3
- IUPAC Standard InChIKey: DLHGEIMBTIHQGR-UHFFFAOYSA-N
- CAS Registry Number: 45651-41-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 4-Methyl-1-azabicyclo[2.2.2]octane
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 979.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 948.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.06 ± 0.015 | PE | Bieri and Heilbronner, 1974 | Vertical value; LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Bieri and Heilbronner, 1974
Bieri, G.; Heilbronner, E.,
Der einfluss von substituenten in stellung 4 auf das n-ionisations- zpotenial des chinuclidins,
Helv. Chim. Acta, 1974, 57, 546. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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