Creatinine

• Formula: C₄H₇N₃O
• Molecular weight: 113.1179
• IUPAC Standard InChI: InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) Copy

  
• IUPAC Standard InChIKey: DDRJAANPRJIHGJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 60-27-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 4H-Imidazol-4-one, 2-imino-1,5-dihydro-1-methyl-; 1-Methylglycocyamidine; 1-Methylhydantoin-2-imide; 2-Imino-1,5-dihydro-1-methyl-4H-imidazol-4-one; 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-; 2-imino-1-methylimidazolidin-4-one
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• Information on this page:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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Condensed phase thermochemistry data

Go To: Top, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, UV/Visible spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Johnson, 1975
Johnson, W.H., The enthalpies of combustion and formation of nicotinic acid and creatinine, J. Res. NBS, 1975, 79, 425-429. [all data]

Huffman, Ellis, et al., 1936
Huffman, H.M.; Ellis, E.L.; Fox, S.W., Thermal data. VI. The heats of combustion and free energies of seven organic compounds containing nitrogen, J. Am. Chem. Soc., 1936, 58, 1728-1733. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Emery and Benedict, 1911
Emery, A.G.; Benedict, F.G., The heat of combustion of compounds of physiological importance, Am. J. Physiol., 1911, 28, 301-307. [all data]

Huffman and Borsook, 1932
Huffman, H.M.; Borsook, H., Thermal data. I. The heat capacities, entropies and free energies of seven organic compounds containing nitrogen, J. Am. Chem. Soc., 1932, 54, 4297-4301. [all data]

Gaede and Gruttner, 1952
Gaede, K.; Gruttner, R., Naturwiss., 1952, 39, 63. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions

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