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L-Alanine, N-acetyl-, methyl ester


Ion clustering 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

CH6N+ + L-Alanine, N-acetyl-, methyl ester = (CH6N+ bullet L-Alanine, N-acetyl-, methyl ester)

By formula: CH6N+ + C6H11NO3 = (CH6N+ bullet C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar168.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar147.J/mol*KPHPMSMeot-Ner, 1984gas phase

CN- + L-Alanine, N-acetyl-, methyl ester = (CN- bullet L-Alanine, N-acetyl-, methyl ester)

By formula: CN- + C6H11NO3 = (CN- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar110.kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KPHPMSMeot-ner, 1988gas phase

MeCO2 anion + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C2H3O2- + C6H11NO3 = (C2H3O2- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar126.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar141.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C2H3O2- bullet C6H11NO3) + C6H11NO3 = (C2H3O2- bullet 2C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar88.7kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar143.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(MeCO2 anion bullet Water) + L-Alanine, N-acetyl-, methyl ester = (MeCO2 anion bullet L-Alanine, N-acetyl-, methyl ester bullet Water)

By formula: (C2H3O2- bullet H2O) + C6H11NO3 = (C2H3O2- bullet C6H11NO3 bullet H2O)

Quantity Value Units Method Reference Comment
Deltar115.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar163.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

imidazolide anion + L-Alanine, N-acetyl-, methyl ester = (imidazolide anion bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C3H3N2- + C6H11NO3 = (C3H3N2- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar96.7kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C3H4N2+ + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C3H4N2+ + C6H11NO3 = (C3H4N2+ bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar116.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar113.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C3H4N2+ bullet L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C3H4N2+ bullet 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C3H4N2+ bullet C6H11NO3) + C6H11NO3 = (C3H4N2+ bullet 2C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar91.2kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar131.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

C3H10N+ + L-Alanine, N-acetyl-, methyl ester = (C3H10N+ bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C3H10N+ + C6H11NO3 = (C3H10N+ bullet C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar124.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar115.J/mol*KPHPMSMeot-Ner, 1984gas phase

C6H12NO3+ + L-Alanine, N-acetyl-, methyl ester = (C6H12NO3+ bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C6H12NO3+ + C6H11NO3 = (C6H12NO3+ bullet C6H11NO3)

Bond type: Hydrogen bonds with polydentate bonding in positive ions

Quantity Value Units Method Reference Comment
Deltar126.kJ/molPHPMSMeot-Ner, 1984gas phase
Quantity Value Units Method Reference Comment
Deltar132.J/mol*KPHPMSMeot-Ner, 1984gas phase

C6H14N+ + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ bullet L-Alanine, N-acetyl-, methyl ester)

By formula: C6H14N+ + C6H11NO3 = (C6H14N+ bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar158.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar171.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

(C6H14N+ bullet L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (C6H14N+ bullet 2L-Alanine, N-acetyl-, methyl ester)

By formula: (C6H14N+ bullet C6H11NO3) + C6H11NO3 = (C6H14N+ bullet 2C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar85.4kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Quantity Value Units Method Reference Comment
Deltar123.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase

Chlorine anion + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion bullet L-Alanine, N-acetyl-, methyl ester)

By formula: Cl- + C6H11NO3 = (Cl- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar123.kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar123.kJ/molPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3
Quantity Value Units Method Reference Comment
Deltar118.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar118.J/mol*KPHPMSMeot-ner, 1988gas phase; CH3CO-Ala-OCH3

(Chlorine anion bullet L-Alanine, N-acetyl-, methyl ester) + L-Alanine, N-acetyl-, methyl ester = (Chlorine anion bullet 2L-Alanine, N-acetyl-, methyl ester)

By formula: (Cl- bullet C6H11NO3) + C6H11NO3 = (Cl- bullet 2C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar82.8kJ/molPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar82.8kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Deltar113.J/mol*KPHPMSMeot-Ner (Mautner), 1988gas phase
Deltar113.J/mol*KPHPMSMeot-ner, 1988gas phase

HS- + L-Alanine, N-acetyl-, methyl ester = (HS- bullet L-Alanine, N-acetyl-, methyl ester)

By formula: HS- + C6H11NO3 = (HS- bullet C6H11NO3)

Quantity Value Units Method Reference Comment
Deltar115.kJ/molPHPMSMeot-ner, 1988gas phase
Quantity Value Units Method Reference Comment
Deltar116.J/mol*KPHPMSMeot-ner, 1988gas phase

References

Go To: Top, Ion clustering data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meot-Ner, 1984
Meot-Ner, (Mautner), The Ionic Hydrogen Bond. 4. Intramolecular and Multiple Bonds. Proton Affinities, Hydration and Complexes of Amides and Amino Acid Derivatives, J. Am. Chem. Soc., 1984, 106, 2, 278, https://doi.org/10.1021/ja00314a003 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Meot-Ner (Mautner), 1988
Meot-Ner (Mautner), M., Models for Strong Interactions in Proteins and Enzymes. 2. Interactions of Ions with the Peptide Link and Imidazole, J. Am. Chem. Soc., 1988, 110, 10, 3075, https://doi.org/10.1021/ja00218a014 . [all data]


Notes

Go To: Top, Ion clustering data, References