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Substance Name: Creatinine [NF]
RN: 60-27-5
UNII: AYI8EX34EU
InChIKey: DDRJAANPRJIHGJ-UHFFFAOYSA-N

Classification Code

  • Bulking Agent for Freeze Drying

Molecular Formula

  • C4-H7-N3-O

Molecular Weight

  • 113.1193
 
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Names and Synonyms

Name of Substance

  • Creatinine
  • Creatinine [NF]

MeSH Heading

  • Creatinine

Synonyms

  • 1-Methylglycocyamidine
  • 1-Methylhydantoin-2-imide
  • AI3-15321
  • Creatinine
  • Creatinine,heated
  • EC 200-466-7
  • EINECS 200-466-7
  • NSC 13123
  • UNII-AYI8EX34EU

Systematic Names

  • 2-Imino-1-methylimidazolidin-4-one
  • 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-
  • Creatinine (VAN) (8CI)

Registry Numbers

CAS Registry Number

  • 60-27-5

FDA UNII

  • AYI8EX34EU

Other Registry Numbers

  • 15231-31-9
  • 45514-66-7
  • 82016-55-5

System Generated Number

  • 0000060275

Structure Descriptors

InChI

1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)

InChIKey

DDRJAANPRJIHGJ-UHFFFAOYSA-N

Smiles

C1(=N)N(CC(=O)N1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 300 dec deg C   EXP
pKa Dissociation Constant 4.8 (none) 25 EXP
log P (octanol-water) -1.76E+00 (none)   EXP
Water Solubility 8.01E+04 mg/L 16 EXP
Vapor Pressure 2.17E-04 mm Hg 25 EST
Henry's Law Constant 2.42E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.69E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.