Ethanamine, N-ethyl-N-nitroso-
- Formula: C4H10N2O
- Molecular weight: 102.1350
- IUPAC Standard InChI: InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
- IUPAC Standard InChIKey: WBNQDOYYEUMPFS-UHFFFAOYSA-N
- CAS Registry Number: 55-18-5
- 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: Diethylamine, N-nitroso-; Diethylnitrosamine; DENA; N-Nitroso-N,N-Diethylamine; N-Nitrosodiethylamine; N,N-Diethylnitrosoamine; Nitrosodiethylamine; Diaethylnitrosamin; Diethylnitrosoamine; DEN; Ethylamine, N-nitrosodi-; N-Ethyl-N-nitrosoethanamine; N,N-Diethylnitrosamine; NDEA; Diethylnitrosamide; N-Nitroso-diaethylamine; Rcra waste number U174; N-Ethyl-N-nitroso-ethylamine; DEN (mutagen); NSC 132
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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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.76 | PE | Battiste, Davis, et al., 1975 | Vertical value |
Gas Chromatography
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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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 876. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 881. | Zenkevich, 1999 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 139.17 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
| Capillary | DB-5MS | 144.23 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Battiste, Davis, et al., 1975
Battiste, D.R.; Davis, L.P.; Nauman, R.V.,
Photoelectron spectroscopy and quantum chemical analysis of some «N»-nitrosamines,
J. Am. Chem. Soc., 1975, 97, 5071. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Zenkevich, 1999
Zenkevich, I.G.,
Precalculation of Gas Chromatographic Retention Indices of Organic Compounds from Boiling Points of their Structural Analogues,
Zh. Struct. Khim., 1999, 40, 1, 121-130. [all data]
Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W.,
Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
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