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Creatinine

CAT: 0572-TRC-C781500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C781500-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60-27-5
Synonyms
4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-; Creatinine (8CI); 1-Methylglycocyamidine; 1-Methylhydantoin-2-imide; 2-Amino-1-methyl-1,5-dihydroimidazol-4-one; 2-Amino-1-methylimidazolin-4-one; NSC 13123; TEGO Cosmo C 250
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CN1CC(=O)N=C1N
Molecular Formula
C4 H7 N3 O
Molecular Weight
113.118
InChI
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
Additionnal Information
IUPAC name: 2-amino-3-methyl-4H-imidazol-5-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

creatinine

Creatinine is a lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. It has a role as a diagnostic agent and a human metabolite. It is a lactam and an imidazolidinone. It is functionally related to a creatine.

CAS Number60-27-5
PubChem CID588
IUPAC Name2-amino-3-methyl-4H-imidazol-5-one
Molecular FormulaC4H7N3O
Molecular Weight113.12
XLogP-1.8
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity151
SMILES
CN1CC(=O)N=C1N
InChI
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey
DDRJAANPRJIHGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of creatinine
CAS: 60-27-5
CID: 588
Formula: C4H7N3O
MW: 113.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.12
XLogP3-1.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass113.058911855
Monoisotopic Mass113.058911855
Topological Polar Surface Area58.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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