Melatonin

• Formula: C₁₃H₁₆N₂O₂
• Molecular weight: 232.2783
• IUPAC Standard InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) Copy

  
• IUPAC Standard InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N Copy
• CAS Registry Number: 73-31-4
• Chemical structure:
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• Other names: Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-; Acetamide, N-[2-(5-methoxyindol-3-yl)ethyl]-; Melatonine; N-Acetyl-5-methoxytryptamine; 5-Methoxy-N-acetyltryptamine; N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide; Circadin; NSC 113928; N-(2-(5-methoxyindol-3-yl)ethyl)acetamide
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Gas phase ion energetics 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLID (SPLIT MULL), FLUOROLUBE FOR 3800-1330 CM^-1, NUJOL FOR 1330-400 CM^-1; BECKMAN IR-9 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

Data compiled by: Timothy J. Johnson, Tanya L. Myers, Yin-Fong Su, Russell G. Tonkyn, Molly Rose K. Kelly-Gorham, and Tyler O. Danby

• solid; Bruker Tensor 37 FTIR; 0.96450084 cm^-1 resolution

References

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

Cannington and Ham, 1983
Cannington, P.H.; Ham, N.S., He(I) and He(II) photoelectron spectra of glycine and related molecules, J. Electron Spectrosc. Relat. Phenom., 1983, 32, 139. [all data]

Notes

Go To: Top, Gas phase ion energetics data, IR Spectrum, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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