4-Amino-2-hydroxy-1-methylpyrimidine
- Formula: C5H7N3O
- Molecular weight: 125.1286
- IUPAC Standard InChI: InChI=1S/C5H9N3O/c1-8-3-2-4(6)7-5(8)9/h2H,3,6H2,1H3,(H,7,9)
- IUPAC Standard InChIKey: LFFRYBLBZIXLJK-UHFFFAOYSA-N
- CAS Registry Number: 1122-47-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Phase change data
Go To: Top, Gas phase ion energetics data, 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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 35.6 ± 2.2 | kcal/mol | N/A | Burkinshaw and Mortimer, 1984 |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 33.7 ± 0.1 | 455. to 487. | GS | Zielenkiewicz, Wszelaka-Rylik, et al., 1998 | |
| 33.9 ± 2.1 | 433. | ME | Burkinshaw and Mortimer, 1984 | Based on data from 423. to 443. K. |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.5 ± 0.1 | EI | Verkin, Sukodub, et al., 1976 | |
| 8.65 | PE | Yu, Peng, et al., 1978 | Vertical value |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Burkinshaw and Mortimer, 1984
Burkinshaw, Philip M.; Mortimer, Colin T.,
Enthalpies of sublimation of transition metal complexes,
J. Chem. Soc., Dalton Trans., 1984, 1, 75, https://doi.org/10.1039/dt9840000075
. [all data]
Zielenkiewicz, Wszelaka-Rylik, et al., 1998
Zielenkiewicz, A.; Wszelaka-Rylik, M.; Poznanski, J.; Zielenkiewicz, W.,
Journal of Solution Chemistry, 1998, 27, 3, 235-243, https://doi.org/10.1023/A:1022636218154
. [all data]
Verkin, Sukodub, et al., 1976
Verkin, B.I.; Sukodub, L.F.; Yanson, I.K.,
Ionization potentials of nitrogenous bases of of nucleic acids,
Dokl. Akad. Nauk SSSR, 1976, 228, 1452. [all data]
Yu, Peng, et al., 1978
Yu, C.; Peng, S.; Akiyama, I.; Lin, J.; LeBreton, P.R.,
Ultraviolet photoelectron studies of biological pyrimidines. The valence electronic structure of cytosine,
J. Am. Chem. Soc., 1978, 100, 2303. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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