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Cyclocreatine

CAT: 0572-TRC-C982200-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C982200-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35404-50-3
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OC(=O)CN1CCNC1=N
Molecular Formula
C5 H9 N3 O2
Molecular Weight
143.14
InChI
InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)
Additionnal Information
IUPAC name: 2-(2-iminoimidazolidin-1-yl)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cyclocreatine

Cyclocreatine is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

CAS Number35404-50-3
PubChem CID2896
IUPAC Name2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid
Molecular FormulaC5H9N3O2
Molecular Weight143.14
XLogP-1.6
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity178
SMILES
C1CN(C(=N1)N)CC(=O)O
InChI
InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)
InChIKey
AMHZIUVRYRVYBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclocreatine
CAS: 35404-50-3
CID: 2896
Formula: C5H9N3O2
MW: 143.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.14
XLogP3-1.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass143.069476538
Monoisotopic Mass143.069476538
Topological Polar Surface Area78.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity178
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

Alternative Products

CatalogName
FC66337-01Cyclocreatine
HY-W017540SCyclocreatine-13C3
HY-W017540R-01Cyclocreatine (Standard)
HY-148150Cyclocreatine phosphate
445273Cyclocreatine-1,4,5-13C3
MBS6024533-01Cyclocreatine (1-Carboxymethyl-2-iminoimidazolidine)

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