creatinine

• CAS: 60-27-5
• Catalog Number: ACM60275
• Category: Imidazoles
• Molecular Weight: 113.12
• Molecular Formula: C4H7N3O
• Synonyms: Methylguanidineacetic acid
• IUPAC Name: 2-Amino-3-methyl-4H-imidazol-5-one
• Canonical SMILES: CN1CC(=O)N=C1N
• InChI: InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
• InChI Key: DDRJAANPRJIHGJ-UHFFFAOYSA-N
• Boiling Point: 211.83 °C
• Melting Point: 295 °C(lit.)
• Flash Point: 290 °C
• Density: 1.2526 g/cm³
• Solubility: Soluble in water
• Appearance: White crystalline powder
• Storage: Sealed in dry, room temperature
• Complexity: 151
• Exact Mass: 113.058911855
• Monoisotopic Mass: 113.058911855
• pKa: 4.83(at 25 °C)
• Refractive Index: 1.5700
• Topological Polar Surface Area: 58.7 Ų

Custom Q&A

What is the molecular formula of creatinine?

The molecular formula of creatinine is C4H7N3O.

What are some synonyms for creatinine?

Some synonyms for creatinine are AYI8EX34EU and creatinine 2-Imino-1-methylimidazolidin-4-one.

How is creatinine related to creatine?

Creatinine is the breakdown product of creatine, a constituent of muscle tissue.

What is the IUPAC name of creatinine?

The IUPAC name of creatinine is 2-amino-3-methyl-4H-imidazol-5-one.

What is the InChIKey of creatinine?

The InChIKey of creatinine is DDRJAANPRJIHGJ-UHFFFAOYSA-N.

What is the CAS number of creatinine?

The CAS number of creatinine is 60-27-5.

What is the molecular weight of creatinine?

The molecular weight of creatinine is 113.12 g/mol.

How many hydrogen bond donor counts does creatinine have?

Creatinine has one hydrogen bond donor count.

How many hydrogen bond acceptor counts does creatinine have?

Creatinine has one hydrogen bond acceptor count.

What is the topological polar surface area of creatinine?

The topological polar surface area of creatinine is 58.7 ?2.

Synthetic Use

Upstream Synthesis Route 1

• 13200-60-7
• 420-04-2

• 60-27-5

Reference: [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1928,vol. 175,p. 73

Upstream Synthesis Route 2

• 67-07-2

• 60-27-5

Reference: [1]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1938,vol. 256,p. 135

Downstream Synthesis Route 1

• 60-27-5
• 64-17-5

• 15366-32-2

Reference: [1] Journal of Medicinal Chemistry, 2013, vol. 56, # 12, p. 5173 - 5181

* For details of the synthesis route, please refer to the original source to ensure accuracy.