Methanamine, N-(phenylmethylene)-, N-oxide
- Formula: C8H9NO
- Molecular weight: 135.1632
- IUPAC Standard InChI: InChI=1S/C8H9NO/c1-9(10)7-8-5-3-2-4-6-8/h2-7H,1H3
- IUPAC Standard InChIKey: AKVBBQCAQAJLKM-UHFFFAOYSA-N
- CAS Registry Number: 3376-23-6
- 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: Nitrone, N-methyl-α-phenyl-; α-Phenyl-N-methylnitrone; C-Phenyl-N-methylnitrone; N-Benzylidenemethylamine N-oxide; N-Methyl-α-phenylnitrone; N-Methyl-C-phenylnitrone; N-Methylphenylnitrone; Methylamine, N-benzylidene-, N-oxide; Benzylidenemethylamine N-oxide; N-(Phenylmethylene)methanamine N-oxide
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Gas phase ion energetics data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.01 | PE | Houk, Bimanand, et al., 1977 | LLK |
| 8.08 ± 0.05 | EI | Thorstad, Undheim, et al., 1975 | LLK |
| 8.01 | PE | Armen, Braunstein, et al., 1979 | Vertical value; LLK |
| 7.89 | PE | Houk, Caramella, et al., 1977 | Vertical value; LLK |
| 8.01 ± 0.02 | PE | Bastide, Maier, et al., 1976 | 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.
Houk, Bimanand, et al., 1977
Houk, K.N.; Bimanand, A.; Mukherjee, D.; Sims, J.; Chang, Y.-M.; Kaufman, D.C.; Domelsmith, L.N.,
Nitrone ionization potentials and cycloaddition regioselectivities,
J. Heterocycl. Chem., 1977, 7, 293. [all data]
Thorstad, Undheim, et al., 1975
Thorstad, O.; Undheim, K.; El-Gendy, M.A.F.,
Ionisation potentials in structure analysis of isomeric nitrones, oxaziranes, O-ether oximes acid amides,
Org. Mass Spectrom., 1975, 10, 1155. [all data]
Armen, Braunstein, et al., 1979
Armen, G.H.; Braunstein, C.; Weinstein, M.I.; Baker, A.D.,
Reaction of azoxyanisole with oxalyl chloride: Use of photoelectron spectroscopy in seeking new reactions,
Tetrahedron Lett., 1979, 43, 4197. [all data]
Houk, Caramella, et al., 1977
Houk, K.N.; Caramella, P.; Munchausen, L.L.; Chang, Y.-M.; Battaglia, A.; Sims, J.; Kaufman, D.C.,
Photoelectron spectra of nitrones and nitrile oxides,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 441. [all data]
Bastide, Maier, et al., 1976
Bastide, J.; Maier, J.P.; Kubota, T.,
Ionisation energies and electronic structures of the phenyl 1,3-dipoles,
J. Electron Spectrosc. Relat. Phenom., 1976, 9, 307. [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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