Alanine
- Formula: C3H7NO2
- Molecular weight: 89.0932
- IUPAC Standard InChIKey: QNAYBMKLOCPYGJ-UWTATZPHSA-N
- CAS Registry Number: 56-41-7
- 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. - Stereoisomers:
- Other names: L-Alanine; Alanine, L-; α-Alanine; α-Aminopropionic acid; (S)-Alanine; L-α-Alanine; L-α-Aminopropionic acid; L-(+)-Alanine; L-2-Aminopropanoic acid; L-2-Aminopropionic acid; Propanoic acid, 2-amino-; Propanoic acid, 2-amino-, (S)-; L-CH3CH(NH2)COOH; (S)-2-Aminopropanoic acid; 2-Aminopropanoic acid; 2-Aminopropionic acid; Ala; Ritalanine; NSC 206315; 2-Aminopropanoic acid, L-
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -414.7 ± 4.2 | kJ/mol | Ccr | Ngauv, Sabbah, et al., 1977 |
Reaction thermochemistry data
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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 as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H6NO2- + =
By formula: C3H6NO2- + H+ = C3H7NO2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1430. ± 7.9 | kJ/mol | CIDC | Jones, Bernier, et al., 2007 | gas phase; B |
ΔrH° | 1425. ± 8.8 | kJ/mol | G+TS | Locke and McIver, 1983 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1401. ± 8.4 | kJ/mol | H-TS | Jones, Bernier, et al., 2007 | gas phase; B |
ΔrG° | 1396. ± 8.4 | kJ/mol | IMRE | Locke and McIver, 1983 | gas phase; B |
By formula: Na+ + C3H7NO2 = (Na+ • C3H7NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 169. ± 13. | kJ/mol | IMRE | Gapeev and Dunbar, 2003 | Anchor glycine=38.5+-2.0; RCD |
ΔrH° | 167. | kJ/mol | CIDC | Kish, Ohanessian, et al., 2003 | Anchor alanine=39.89; RCD |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ngauv, Sabbah, et al., 1977
Ngauv, S.N.; Sabbah, R.; Laffitte, M.,
Thermodynamique de composes azotes. III. Etude thermochimique de la glycine et de la l-α-alanine,
Thermochim. Acta, 1977, 20, 371-380. [all data]
Jones, Bernier, et al., 2007
Jones, C.M.; Bernier, M.; Carson, E.; Colyer, K.E.; Metz, R.; Pawlow, A.; Wischow, E.D.; Webb, I.; Andriole, E.J.; Poutsma, J.C.,
Gas-phase Acities of the 20 Protein Amino Acids,
Int. J. Mass Spectrom., 2007, 267, 1-3, 54-62, https://doi.org/10.1016/j.ijms.2007.02.018
. [all data]
Locke and McIver, 1983
Locke, M.J.; McIver, R.T., Jr.,
Effect of Solvation on the Acid/Base Properties of Glycine,
J. Am. Chem. Soc., 1983, 105, 4226. [all data]
Gapeev and Dunbar, 2003
Gapeev, A.; Dunbar, R.C.,
Na+ Affinities of Gas-Phase Amino Acids by Ligand Exchange Equilibrium,
Int. J. Mass Spectrom., 2003, 228, 2-3, 825, https://doi.org/10.1016/S1387-3806(03)00242-2
. [all data]
Kish, Ohanessian, et al., 2003
Kish, M.M.; Ohanessian, G.; Wesdemiotis, C.,
The Na+ affinities of a-amino acids: side-chain substituent effects,
Int. J. Mass Spectrom., 2003, 227, 3, 509, https://doi.org/10.1016/S1387-3806(03)00082-4
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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