Pyrimidine, 4-methyl-
- Formula: C5H6N2
- Molecular weight: 94.1145
- IUPAC Standard InChI: InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
- IUPAC Standard InChIKey: LVILGAOSPDLNRM-UHFFFAOYSA-N
- CAS Registry Number: 3438-46-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 4-Methylpyrimidine
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IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | Copyright (C) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | SOUTHERN RESEARCH INSTITUTE |
| Source reference | COBLENTZ NO. 6899 |
| Date | 1961/03/21 |
| Name(s) | 4-methylpyrimidine |
| State | LIQUID (NEAT) |
| Instrument | PERKIN-ELMER 221 (GRATING) |
| Instrument parameters | FILTER AT 980 CM-1. GRATING 4000-1428 CM-1, NaCl PRISM 1428-650 CM-1 |
| Path length | 0.003 CM |
| Resolution | 2 |
| Data processing | (ADJUSTED addcm-115-5-2) |
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 |
|---|---|---|---|---|---|
| Capillary | OV-101 | 110. | 827. | Golovnya, Kuz'menko, et al., 2000 | He; Phase thickness: 0.4 μm |
| Capillary | OV-101 | 110. | 827. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 819. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 853. | Lu, Hao, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(1min) => 3C/min => 209C => 20C/min => 280C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1328. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.E.; Krikunova, N.I.,
The influence of alkyl substituents on the chromatographic indicator of self-association of N-containing heterocyclic compounds,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 321-324, https://doi.org/10.1007/BF02494681
. [all data]
Zhuravleva, 2000
Zhuravleva, I.L.,
Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Lu, Hao, et al., 2005
Lu, C.-Y.; Hao, Z.; Payne, R.; Ho, C.-T.,
Effects of water content on volatile generation and peptide degradation in the Maillard reaction of glycine, diglycine, and triglycine,
J. Agric. Food Chem., 2005, 53, 16, 6443-6447, https://doi.org/10.1021/jf050534p
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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