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Creatine ethyl ester

CAT: 0013-GTR19258277-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258277-02Size:50 mg
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Description
Creatine ethyl ester (CEE) is a readily available form of creatine commonly used in supplements. It can upregulate TLRs (TLR2, 3, 4, and TLR7) over a short period.
CAS Number
15366-29-7
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O=C (OCC) CN (C (=N) N) C
Molecular Formula
C6H13N3O2
Molecular Weight
159.186
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(Aminoiminomethyl)-N-methylglycine ethyl ester
CAS Number15366-29-7
PubChem CID10197817
IUPAC Nameethyl 2-[carbamimidoyl(methyl)amino]acetate
Molecular FormulaC6H13N3O2
Molecular Weight159.19
XLogP-0.5
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CCOC(=O)CN(C)C(=N)N
InChI
InChI=1S/C6H13N3O2/c1-3-11-5(10)4-9(2)6(7)8/h3-4H2,1-2H3,(H3,7,8)
InChIKey
UFUWQSYRGLMLKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Aminoiminomethyl)-N-methylglycine ethyl ester
CAS: 15366-29-7
CID: 10197817
Formula: C6H13N3O2
MW: 159.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.19
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass159.100776666
Monoisotopic Mass159.100776666
Topological Polar Surface Area79.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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