Alanine
- Formula: C3H7NO2
- Molecular weight: 89.0932
- IUPAC Standard InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
- 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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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° | 341.8 ± 1.9 | kcal/mol | CIDC | Jones, Bernier, et al., 2007 | gas phase; B |
| ΔrH° | 340.7 ± 2.1 | kcal/mol | G+TS | Locke and McIver, 1983 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 334.8 ± 2.0 | kcal/mol | H-TS | Jones, Bernier, et al., 2007 | gas phase; B |
| ΔrG° | 333.7 ± 2.0 | kcal/mol | IMRE | Locke and McIver, 1983 | gas phase; B |
+
= (
•
)
By formula: Na+ + C3H7NO2 = (Na+ • C3H7NO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 40.4 ± 3.0 | kcal/mol | IMRE | Gapeev and Dunbar, 2003 | Anchor glycine=38.5+-2.0; RCD |
| ΔrH° | 39.9 | kcal/mol | CIDC | Kish, Ohanessian, et al., 2003 | Anchor alanine=39.89; RCD |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, Reaction thermochemistry data, References
- Symbols used in this document:
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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