Ethanone, 1-(2-aminophenyl)-
- Formula: C8H9NO
- Molecular weight: 135.1632
- IUPAC Standard InChI: InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
- IUPAC Standard InChIKey: GTDQGKWDWVUKTI-UHFFFAOYSA-N
- CAS Registry Number: 551-93-9
- 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: Acetophenone, 2'-amino-; o-Aminoacetophenone; o-Aminoacetylbenzene; 2-Acetylaniline; 2'-Aminoacetophenone; 2-Aminoacetophenone; o-Aminophenyl methyl ketone; 1-Acetyl-2-aminobenzene; ortho-Aminoacetophenone; 2-Acetylphenylamine; NSC 8820; o-Acetylaniline; 1-(2-Aminophenyl)ethanone; ortho-aminoacetophenone (2'-aminoacetophenone)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 343.7 | 0.004 | Aldrich Chemical Company Inc., 1990 |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Sadtler Research Labs Under US-EPA Contract |
| State | gas |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | RADIAN CORP |
| NIST MS number | 71172 |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, 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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1285. | Yamaguchi and Shibamoto, 1979 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1288. | Yamaguchi and Shibamoto, 1979 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1315. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
| Capillary | SE-54 | 1318. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | DB-5MS | 1296. | Schwambach and Peterson, 2006 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min, 250. C @ 2. min |
| Capillary | DB-5MS | 1299. | Schwambach and Peterson, 2006 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min, 250. C @ 2. min |
| Capillary | DB-5MS | 1320. | Carunchia Whetstine, Croissant, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min |
| Capillary | DB-5MS | 1315. | Whetstine, Cadwallader, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min |
| Capillary | BPX-5 | 1322. | Dickschat, Wenzel, et al., 2004 | 25. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
| Capillary | DB-5MS | 1307. | Karagül-Yüceer, Vlahovich, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
| Capillary | DB-5 | 1308. | Karagül-Yüceer, Cadwallader, et al., 2002 | 30. m/0.32 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
| Capillary | DB-5 | 1308. | Wu and Cadwallader, 2002 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 30. min |
| Capillary | DB-5 | 1308. | Karagül-Yüceer, Drake, et al., 2001 | 30. m/0.32 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
| Capillary | DB-5MS | 1310. | Lee, Suriyaphan, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
| Capillary | DB-5MS | 1316. | Cha and Cadwallader, 1998 | 30. m/0.32 mm/0.25 μm, 40. C @ 5. min, 6. K/min, 200. C @ 30. min |
| Capillary | OV-101 | 1292. | Chisholm, Guiher, et al., 1994 | 35. C @ 3. min, 6. K/min; Column length: 15. m; Column diameter: 0.32 mm; Tend: 250. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 1306. | Fritsch and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
| Capillary | DB-5 | 1306. | Jezussek, Juliano, et al., 2002 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C |
| Capillary | DB-5 | 1300. | Munk, Munch, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) |
| Capillary | DB-5 | 1302. | Munk, Munch, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 2225. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
| Capillary | DB-FFAP | 2242. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
| Capillary | FFAP | 2240. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 30. m; Column diameter: 0.32 mm |
| Capillary | DB-Wax | 2225. | Schwambach and Peterson, 2006 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 3. K/min, 230. C @ 4. min |
| Capillary | DB-Wax | 2225. | Schwambach and Peterson, 2006 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 3. K/min, 230. C @ 4. min |
| Capillary | DB-Wax | 2223. | Carunchia Whetstine, Croissant, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min |
| Capillary | DB-FFAP | 2202. | Avsar, Karagul-Yuceer, et al., 2004 | 15. m/0.32 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 15. min |
| Capillary | DB-FFAP | 2202. | Karagül-Yüceer, Vlahovich, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
| Capillary | Supelcowax-10 | 2222. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
| Capillary | DB-Wax | 2204. | Karagül-Yüceer, Cadwallader, et al., 2002 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
| Capillary | DB-Wax | 2229. | Wu and Cadwallader, 2002 | 30. m/0.32 mm/1. μm, He, 40. C @ 5. min, 10. K/min, 200. C @ 30. min |
| Capillary | Supelcowax-10 | 2222. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
| Capillary | DB-Wax | 2218. | Karagül-Yüceer, Drake, et al., 2001 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
| Capillary | DB-Wax | 2270. | Lee, Suriyaphan, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
| Capillary | DB-Wax | 2237. | Cha and Cadwallader, 1998 | 30. m/0.32 mm/0.25 μm, 40. C @ 5. min, 6. K/min, 200. C @ 30. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 2200. | Fritsch and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
| Capillary | FFAP | 2222. | Jezussek, Juliano, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C |
| Capillary | DB-FFAP | 2184. | Munk, Munch, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min) |
| Capillary | DB-FFAP | 2182. | Munk, Munch, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1299. | Nawrath, Mgode, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
| Capillary | BPX-5 | 1325. | Dickschat, Martens, et al., 2005 | 25. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 320. C |
| Capillary | OV-101 | 1260. | Murakami, Goldstein, et al., 2003 | 12. m/0.32 mm/0.32 μm, 35. C @ 3. min, 6. K/min; Tend: 225. C |
| Capillary | OV-101 | 1292. | Bloss, Acree, et al., 2002 | 35. C @ 5. min, 6. K/min; Column length: 10. m; Column diameter: 0.25 mm; Tend: 225. C |
| Capillary | DB-1 | 1261. | Buttery and Ling, 1995 | He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1300. | Buettner, 2007 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
| Capillary | CP-Sil5 CB MS | 1262. | Callemien, Dasnoy, et al., 2006 | 50. m/0.32 mm/1.2 μm, N2; Program: 36C => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) |
| Capillary | CP-Sil 5 CB | 1262. | Callamien, Dasnoy, et al., 2005 | 50. m/0.32 mm/1.2 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 iC/min -> 145 0C 3 0C/min -> 250 0C |
| Capillary | CP-Sil 5 CB | 1262. | Callemien, Dasnoy, et al., 2005 | 50. m/0.32 mm/1.20 μm, Nitrogen; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C |
| Capillary | SE-30 | 1288. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP-Sil 5 CB | 1265. | Gijs, Chevanese, et al., 2002 | 50. m/0.32 mm/1.20 μm, Helium; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) |
| Capillary | CP Sil 5 CB | 1274. | Lermusieau, Bulens, et al., 2001 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) |
| Capillary | CP Sil 5 CB | 1260. | Guyot, Bouseta, et al., 1998 | 50. m/0.32 mm/1.2 μm, He; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
| Capillary | DB-5 | 1300. | Guth, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2213. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
| Capillary | DB-Wax | 2187. | Kishimoto, Wanikawa, et al., 2006 | 15. m/0.32 mm/0.25 μm, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C |
| Capillary | DB-Wax | 2252. | Culleré, Escudero, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
| Capillary | DB-Wax | 2227. | Kumazawa and Masuda, 2002 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-Wax | 2228. | Kumazawa and Masuda, 2002 | 60. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-Wax | 2238. | Aznar, López, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
| Capillary | DB-Wax | 2234. | Ferreira, Aznar, et al., 2001 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min |
| Capillary | HP-FFAP | 2227. | Preininger and Ullrich, 2001 | 50. m/0.32 mm/0.5 μm, 6. K/min, 230. C @ 15. min; Tstart: 35. C |
| Capillary | DB-Wax | 2223. | Kumazawa and Masuda, 1999 | 30. m/0.53 mm/1. μm, 5. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-Wax | 2228. | Kumazawa and Masuda, 1999 | 60. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 40. C; Tend: 210. C |
| Capillary | DB-Wax | 2210. | Buttery and Ling, 1998 | 30. C @ 4. min, 2. K/min, 170. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 2200. | Buettner, 2007 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
| Capillary | Carbowax 20M | 2181. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-FFAP | 2200. | Guth, 1997 | 30. m/0.32 mm/0.25 μm; Program: 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) |
| Capillary | DB-Wax | 2187. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Phase change data, IR Spectrum, 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.
Aldrich Chemical Company Inc., 1990
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Notes
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