4(1H)-Quinazolinone, 2-methyl-
- Formula: C9H8N2O
- Molecular weight: 160.1726
- IUPAC Standard InChI: InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
- IUPAC Standard InChIKey: FIEYHAAMDAPVCH-UHFFFAOYSA-N
- CAS Registry Number: 1769-24-0
- 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: 2-Methyl-4-quinazolinone; 2-Methyl-4(3H)-quinazolinone; 2-Methylquinazolone; 2-Methyl-4-quinazolone; 4-Quinazolinol, 2-methyl-; 4(3H)-Quinazolinone, 2-methyl-; 4-Quinazolone, 2-methyl; Quinazolin-4-one, 2-methyl; 2-methylquinazolin-4(1H)-one
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | OV-1 | 220. | 1736. | Papp, Szász, et al., 1991 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1736. | Zhang, Li, et al., 2003 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 2085. | Nebesny, Budryn, et al., 2007 | 30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Papp, Szász, et al., 1991
Papp, O.; Szász, Gy.; Orfi, L.; Hermecz, I.,
Correlation between structure and gas chromatographic behaviour of nitrogen-containing heterocyclic compounds. II. Alkyl substitution of quinazolone derivatives,
J. Chromatogr., 1991, 537, 371-376, https://doi.org/10.1016/S0021-9673(01)88910-X
. [all data]
Zhang, Li, et al., 2003
Zhang, X.; Li, J.; Cao, W.,
Quantitative structure-retention relationship for quinazoline derivatives,
J. Beijing Inst. Chem. Technol., 2003, 30, 5, 101-104. [all data]
Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T.,
The effect of roasting method on headspace composition of robusta coffee bean aroma,
Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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