Benzoic acid, 4-amino-, methyl ester
- Formula: C8H9NO2
- Molecular weight: 151.1626
- IUPAC Standard InChI: InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
- IUPAC Standard InChIKey: LZXXNPOYQCLXRS-UHFFFAOYSA-N
- CAS Registry Number: 619-45-4
- 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: Benzoic acid, p-amino-, methyl ester; p-(Methoxycarbonyl)aniline; p-Aminobenzoic acid methyl ester; Methyl aniline-4-carboxylate; Methyl p-aminobenzoate; Methyl 4-aminobenzoate; 4-(Methoxycarbonyl)aniline; 4-Aminobenzoic acid methyl ester; Methyl ester of p-aminobenzoic acid; Methyl ester of 4-aminobenzoic acid; 4-(Carbomethoxy)aniline; NSC 3783
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1529. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | JXR | 180. | 1509. | von Buchi, Lorini, et al., 1972 | |
| Capillary | JXR | 200. | 1511. | von Buchi, Lorini, et al., 1972 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 1546. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
von Buchi, Lorini, et al., 1972
von Buchi, J.; Lorini, V.; Perlia, X.,
Gaschromatographische Untersuchung einiger homologer Reihen von Lokalanaesthetica,
Pharm. Acta Helv., 1972, 47, 65, 377-393. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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