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Creatine monohydrate

CAT: 0127-BUP18854-03Size: 5 gDry Ice: NoHazardous: No
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CAS Number
6020-87-7
Synonyms
Methylguanidoacetic acid monohydrate
Purity
=98%
Smiles
CN(CC(O)=O)C(N)=N.[H]O[H]

Chemical Information

Creatine Monohydrate

Creatine Monohydrate is the monohydrate form of creatine similar or identical to endogenous creatine produced in the liver, kidneys, and pancreas. Creatine, in phosphate form, helps supply energy to muscle cells for contraction. After intense effort, when ATP deposits are depleted, creatine phosphate donates phosphate groups toward the fast synthesis of ATP. Dietary supplementation with creatine may improve muscle wasting associated with cancer and other chronic diseases.

CAS Number6020-87-7
PubChem CID80116
IUPAC Name2-[carbamimidoyl(methyl)amino]acetic acid;hydrate
Molecular FormulaC4H11N3O3
Molecular Weight149.15
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity134
SMILES
CN(CC(=O)O)C(=N)N.O
InChI
InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
InChIKey
MEJYXFHCRXAUIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Creatine Monohydrate
CAS: 6020-87-7
CID: 80116
Formula: C4H11N3O3
MW: 149.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass149.08004122
Monoisotopic Mass149.08004122
Topological Polar Surface Area91.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity134
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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