Benzeneacetic acid, α-phenyl-, 2-(diethylamino)ethyl ester
- Formula: C20H25NO2
- Molecular weight: 311.4180
- IUPAC Standard InChI: InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
- IUPAC Standard InChIKey: JGOAIQNSOGZNBX-UHFFFAOYSA-N
- CAS Registry Number: 64-95-9
- 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: Acetic acid, diphenyl-, 2-(diethylamino)ethyl ester; Adiphenin; Adiphenine; 2-Diethylaminoethyl diphenylacetate; 2-Diethylaminoethylester kyseliny difenyloctove; Difacil; Diphacil; Diphacyl; Diphenylacetic acid diethylaminoethyl ester; Diphenylacetic acid, 2-(diethylamino)ethyl ester; Diphenylacetyldiethylaminoethanol; Patrovine; Spasmolytin; Transentine; Tranzetil; Trasentin; Trasentine; Trazentyna; Vegantine; Wegantyna; SKF 962A
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Tox21 Consortium/NIST Mass Spectrometry Data Center, 2012 |
| NIST MS number | 408722 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 220. | 2210. | Musumarra, Scarlata, et al., 1987 | N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m |
| Packed | SE-30 | 210. | 2192. | Lenchik, Rudenko, et al., 1986 | N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m |
| Packed | SE-30 | 210. | 2193. | Lenchik, Rudenko, et al., 1986 | N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 2220. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 5. K/min; Column length: 2. m; Tstart: 150. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 2186. | Schutz and Wollrab A., 1988 | Program: not specified |
| Other | Methyl Silicone | 2250. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G.,
Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30,
J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154
. [all data]
Lenchik, Rudenko, et al., 1986
Lenchik, N.V.; Rudenko, B.A.; Dzhabarov, D.N.,
Gas chromatographic analysis of nitrogen-containing pharmaceticals using a thermoaerosol detector and non-porous sorbents,
Zh. Anal. Khim., 1986, 1438-1443. [all data]
Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F.,
Use of the retention index in gas chromatographic studies of drugs,
J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185
. [all data]
Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A.,
The significance of the retention index in toxicologic analysis II,
Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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